1-(2,4-dimethylpentyl)-3-propan-2-ylcyclohexane;ethane

C18H38 — CID 142462854

IUPAC1-(2,4-dimethylpentyl)-3-propan-2-ylcyclohexane;ethane
SMILESCC.CC(C)CC(C)CC1CCCC(C(C)C)C1
InChIInChI=1S/C16H32.C2H6/c1-12(2)9-14(5)10-15-7-6-8-16(11-15)13(3)4;1-2/h12-16H,6-11H2,1-5H3;1-2H3
InChIKeyQKRVSFLUPGNXDK-UHFFFAOYSA-N
MW254.50 g/mol
LogP6.55
Rot. Bonds5

About 1-(2,4-dimethylpentyl)-3-propan-2-ylcyclohexane;ethane

1-(2,4-dimethylpentyl)-3-propan-2-ylcyclohexane;ethane (PubChem CID 142462854) has the molecular formula C18H38 and a molecular weight of 254.50 g/mol. Its IUPAC name is 1-(2,4-dimethylpentyl)-3-propan-2-ylcyclohexane;ethane.

Molecular Properties

Compound Name1-(2,4-dimethylpentyl)-3-propan-2-ylcyclohexane;ethane
PubChem CID142462854
Molecular FormulaC18H38
Molecular Weight254.50 g/mol
Exact Mass254.30
IUPAC Name1-(2,4-dimethylpentyl)-3-propan-2-ylcyclohexane;ethane
SMILESCC.CC(C)CC(C)CC1CCCC(C(C)C)C1
InChIInChI=1S/C16H32.C2H6/c1-12(2)9-14(5)10-15-7-6-8-16(11-15)13(3)4;1-2/h12-16H,6-11H2,1-5H3;1-2H3
InChIKeyQKRVSFLUPGNXDK-UHFFFAOYSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.50
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-(2,4-dimethylpentyl)-N-ethylcycloheptan-1-amine
CID 114201373
(3R)-3-propan-2-ylcyclohexan-1-amine
CID 55289191
1-(3-bromo-2-methylpropyl)-3-methylcyclohexane
CID 64670996
(3-bromo-2-methylpropyl)cyclohexane
CID 64670797
[2-(cyclopropylmethyl)-4-methylpentyl]cyclobutane
CID 57222816
ethane;4-methylpentan-2-ylcyclobutane
CID 158871771
(1S)-1-methyl-3-(2-methylpropyl)cyclohexane
CID 140722932
(2S)-4-methylpentan-2-ol;propan-2-ylcyclopentane
CID 158186042
cis-(1R,2S)-1,2-di(propan-2-yl)cyclohexane;1,2-di(propan-2-yl)cyclohexane;1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexane;trans-(1S,2S)-1,2-di(propan-2-yl)cyclohexane
CID 162051954
1-[3-[2-[3-[1-[3-(1-hydroxyethyl)cyclohexyl]propan-2-yl]cyclohexyl]propyl]cyclohexyl]ethanol
CID 70901269
1,3-bis(2-methylpentyl)cyclohexane;methane
CID 173426658
4-hydroxy-1-[(1R,3S)-3-propan-2-ylcyclohexyl]pentan-2-one
CID 157279519

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylpentyl)-3-propan-2-ylcyclohexane;ethane?
The IUPAC name of 1-(2,4-dimethylpentyl)-3-propan-2-ylcyclohexane;ethane (CID 142462854) is 1-(2,4-dimethylpentyl)-3-propan-2-ylcyclohexane;ethane.
What is the SMILES notation for 1-(2,4-dimethylpentyl)-3-propan-2-ylcyclohexane;ethane?
The canonical SMILES for 1-(2,4-dimethylpentyl)-3-propan-2-ylcyclohexane;ethane is CC.CC(C)CC(C)CC1CCCC(C(C)C)C1.
What is the InChIKey of 1-(2,4-dimethylpentyl)-3-propan-2-ylcyclohexane;ethane?
The InChIKey is QKRVSFLUPGNXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32.C2H6/c1-12(2)9-14(5)10-15-7-6-8-16(11-15)13(3)4;1-2/h12-16H,6-11H2,1-5H3;1-2H3.
What are the key properties of 1-(2,4-dimethylpentyl)-3-propan-2-ylcyclohexane;ethane?
1-(2,4-dimethylpentyl)-3-propan-2-ylcyclohexane;ethane has a molecular weight of 254.50 g/mol, XLogP of 6.55, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylpentyl)-3-propan-2-ylcyclohexane;ethane is sourced from PubChem (CID 142462854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).