1-methyl-1-(3-methylhexyl)cyclohexane

C14H28 — CID 154522496

IUPAC1-methyl-1-(3-methylhexyl)cyclohexane
SMILESCCCC(C)CCC1(C)CCCCC1
InChIInChI=1S/C14H28/c1-4-8-13(2)9-12-14(3)10-6-5-7-11-14/h13H,4-12H2,1-3H3
InChIKeyACCRUNLMWAAWDV-UHFFFAOYSA-N
MW196.38 g/mol
LogP5.17
Rot. Bonds5

About 1-methyl-1-(3-methylhexyl)cyclohexane

1-methyl-1-(3-methylhexyl)cyclohexane (PubChem CID 154522496) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 1-methyl-1-(3-methylhexyl)cyclohexane.

Molecular Properties

Compound Name1-methyl-1-(3-methylhexyl)cyclohexane
PubChem CID154522496
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name1-methyl-1-(3-methylhexyl)cyclohexane
SMILESCCCC(C)CCC1(C)CCCCC1
InChIInChI=1S/C14H28/c1-4-8-13(2)9-12-14(3)10-6-5-7-11-14/h13H,4-12H2,1-3H3
InChIKeyACCRUNLMWAAWDV-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.38
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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4-methylheptane
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4-methylheptane;propane
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1-methyl-1-(2-methylbutyl)cyclopentane
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CID 143800193
2,2-dimethyl-1-(2-methylpentyl)cyclohexan-1-amine
CID 79835898
ethane;2-methylpropane;1-methyl-1-propylcyclopropane
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(3-methylhexyl)cyclohexane?
The IUPAC name of 1-methyl-1-(3-methylhexyl)cyclohexane (CID 154522496) is 1-methyl-1-(3-methylhexyl)cyclohexane.
What is the SMILES notation for 1-methyl-1-(3-methylhexyl)cyclohexane?
The canonical SMILES for 1-methyl-1-(3-methylhexyl)cyclohexane is CCCC(C)CCC1(C)CCCCC1.
What is the InChIKey of 1-methyl-1-(3-methylhexyl)cyclohexane?
The InChIKey is ACCRUNLMWAAWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-4-8-13(2)9-12-14(3)10-6-5-7-11-14/h13H,4-12H2,1-3H3.
What are the key properties of 1-methyl-1-(3-methylhexyl)cyclohexane?
1-methyl-1-(3-methylhexyl)cyclohexane has a molecular weight of 196.38 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(3-methylhexyl)cyclohexane is sourced from PubChem (CID 154522496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).