3,3-Dimethyloctane

C10H22CAS 4110-44-5142.29 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C10H22
Molar mass
142.29 g/mol
Exact mass
142.1722 Da
logP
4.00Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
5

Hazards

Danger
Flammable (GHS02)Corrosive (GHS05)Irritant (GHS07)

Aggregated from 50 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, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
4110-44-5
SMILES
CCCCCC(C)(C)CC
InChIKey
DBULLUBYDONGLT-UHFFFAOYSA-N
InChI
InChI=1S/C10H22/c1-5-7-8-9-10(3,4)6-2/h5-9H2,1-4H3

Weigh it out

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Work with 3,3-Dimethyloctane

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,3-Dimethylheptane4032-86-485 % similar 3-Methyl-3-octanol5340-36-352 % similar 3-Methyl-3-nonanol21078-72-850 % similar 3,3-Dimethylpentane562-49-250 % similar 1,1-Dimethylcyclohexane590-66-948 % similar 4,4-Dimethyl heptane1068-19-545 % similar tert-Nonyl mercaptan25360-10-544 % similar 4-Methyl-4-nonanol23418-38-443 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,7-Dimethyloctane1072-16-8 Decane124-18-5 4,4-Dimethyloctane15869-95-1 (±)-4-Methylnonane17301-94-9 2,6-Dimethyloctane2051-30-1 2-Methylnonane871-83-0

Elsewhere

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