3-methyl-6-(5-methyloctan-2-yl)cyclohexene

C16H30 — CID 123615125

IUPAC3-methyl-6-(5-methyloctan-2-yl)cyclohexene
SMILESCCCC(C)CCC(C)C1C=CC(C)CC1
InChIInChI=1S/C16H30/c1-5-6-13(2)7-10-15(4)16-11-8-14(3)9-12-16/h8,11,13-16H,5-7,9-10,12H2,1-4H3
InChIKeyJOLSJVMJDDEHHW-UHFFFAOYSA-N
MW222.42 g/mol
LogP5.44
Rot. Bonds6

About 3-methyl-6-(5-methyloctan-2-yl)cyclohexene

3-methyl-6-(5-methyloctan-2-yl)cyclohexene (PubChem CID 123615125) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is 3-methyl-6-(5-methyloctan-2-yl)cyclohexene.

Molecular Properties

Compound Name3-methyl-6-(5-methyloctan-2-yl)cyclohexene
PubChem CID123615125
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name3-methyl-6-(5-methyloctan-2-yl)cyclohexene
SMILESCCCC(C)CCC(C)C1C=CC(C)CC1
InChIInChI=1S/C16H30/c1-5-6-13(2)7-10-15(4)16-11-8-14(3)9-12-16/h8,11,13-16H,5-7,9-10,12H2,1-4H3
InChIKeyJOLSJVMJDDEHHW-UHFFFAOYSA-N
XLogP5.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(5-methylhexan-2-yl)-6-propylcyclohexene
CID 123606448
3-methyl-6-[6-(3-methylbutyl)-8-propyldodecan-3-yl]cyclohexene
CID 123489830
4-methylheptane
CID 91413347
4-methylheptane
CID 11512
3-butan-2-yl-5-methylcyclopentene
CID 143604175
CID 89128615
CID 89128615
4-methylheptane;propane
CID 142171269
3-butan-2-yl-5-methylcyclopentene;methane
CID 143604174
cis-(1R,2R)-1-methyl-2-pentan-2-ylcyclopentane
CID 54158802
(3R,6R)-3,6-dimethylnonane
CID 170848352
acetylene;4-methylheptane
CID 143164229
7-butyl-4-methylundecane
CID 59977721

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(5-methyloctan-2-yl)cyclohexene?
The IUPAC name of 3-methyl-6-(5-methyloctan-2-yl)cyclohexene (CID 123615125) is 3-methyl-6-(5-methyloctan-2-yl)cyclohexene.
What is the SMILES notation for 3-methyl-6-(5-methyloctan-2-yl)cyclohexene?
The canonical SMILES for 3-methyl-6-(5-methyloctan-2-yl)cyclohexene is CCCC(C)CCC(C)C1C=CC(C)CC1.
What is the InChIKey of 3-methyl-6-(5-methyloctan-2-yl)cyclohexene?
The InChIKey is JOLSJVMJDDEHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30/c1-5-6-13(2)7-10-15(4)16-11-8-14(3)9-12-16/h8,11,13-16H,5-7,9-10,12H2,1-4H3.
What are the key properties of 3-methyl-6-(5-methyloctan-2-yl)cyclohexene?
3-methyl-6-(5-methyloctan-2-yl)cyclohexene has a molecular weight of 222.42 g/mol, XLogP of 5.44, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(5-methyloctan-2-yl)cyclohexene is sourced from PubChem (CID 123615125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).