2,2-Dimethyl-3-pentanol
Properties
- Molecular formula
- C7H16O
- Molar mass
- 116.20 g/mol
- Exact mass
- 116.1201 Da
- Density
- 0.8246 g/mL (at 20 °C)
- Melting point
- −5 °C
- Boiling point
- 135 °C
- logP
- 1.80Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H226 Flammable liquid and vapor100% of notifiers
- H315 Causes skin irritation90.9% of notifiers
- H319 Causes serious eye irritation90.9% of notifiers
- H335 May cause respiratory irritation90.9% of notifiers
Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
3970-62-5SMILES
CCC(O)C(C)(C)CInChIKey
HMSVXZJWPVIVIV-UHFFFAOYSA-NInChI
InChI=1S/C7H16O/c1-5-6(8)7(2,3)4/h6,8H,5H2,1-4H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
3 names
- 3-Pentanol, 2,2-dimethyl-
- (±)-2,2-Dimethyl-3-pentanol
- NSC 42943
Work with 2,2-Dimethyl-3-pentanol
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
2,2-Dimethyl-3-hexanol4209-90-957 % similar
2,2,3-Trimethylpentane564-02-343 % similar
3-Pentanol584-02-138 % similar
(3R,6R)-3,6-Octanediol129619-37-035 % similar
(-)-2-Butanol14898-79-435 % similar
(+-)-2-Butanol15892-23-635 % similar
(+)-2-Butanol4221-99-235 % similar
Pinacolyl alcohol464-07-335 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds