7-methyloctan-2-ylcyclohexane

C15H30 — CID 54518526

IUPAC7-methyloctan-2-ylcyclohexane
SMILESCC(C)CCCCC(C)C1CCCCC1
InChIInChI=1S/C15H30/c1-13(2)9-7-8-10-14(3)15-11-5-4-6-12-15/h13-15H,4-12H2,1-3H3
InChIKeyYJGOMXFVMGLDFZ-UHFFFAOYSA-N
MW210.40 g/mol
LogP5.42
Rot. Bonds6

About 7-methyloctan-2-ylcyclohexane

7-methyloctan-2-ylcyclohexane (PubChem CID 54518526) has the molecular formula C15H30 and a molecular weight of 210.40 g/mol. Its IUPAC name is 7-methyloctan-2-ylcyclohexane.

Molecular Properties

Compound Name7-methyloctan-2-ylcyclohexane
PubChem CID54518526
Molecular FormulaC15H30
Molecular Weight210.40 g/mol
Exact Mass210.23
IUPAC Name7-methyloctan-2-ylcyclohexane
SMILESCC(C)CCCCC(C)C1CCCCC1
InChIInChI=1S/C15H30/c1-13(2)9-7-8-10-14(3)15-11-5-4-6-12-15/h13-15H,4-12H2,1-3H3
InChIKeyYJGOMXFVMGLDFZ-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.40
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

butane;pentan-2-ylcyclohexane
CID 143682251
ethane;pentan-2-ylcyclohexane
CID 143225886
1-cyclooctyl-5-methylhexan-1-amine
CID 83162244
(1-cyclohexyl-4-methylpentyl)cyclohexane
CID 21259623
N-(7-methyloctyl)cyclooctanamine
CID 29032555
5-cyclopentylhexanoic acid
CID 69016722
butan-2-ylcyclohexadecane
CID 123713671
2-cycloheptyl-N-methylpropan-1-amine
CID 82931674
octan-2-ylcyclopropane
CID 18968125
6-methylheptoxycyclohexane
CID 66984925
5-methylhept-6-en-2-ylcyclohexane
CID 145312672
diethyl 2-(5-cyclopentylhexyl)propanedioate
CID 70540896

Frequently Asked Questions

What is the IUPAC name of 7-methyloctan-2-ylcyclohexane?
The IUPAC name of 7-methyloctan-2-ylcyclohexane (CID 54518526) is 7-methyloctan-2-ylcyclohexane.
What is the SMILES notation for 7-methyloctan-2-ylcyclohexane?
The canonical SMILES for 7-methyloctan-2-ylcyclohexane is CC(C)CCCCC(C)C1CCCCC1.
What is the InChIKey of 7-methyloctan-2-ylcyclohexane?
The InChIKey is YJGOMXFVMGLDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30/c1-13(2)9-7-8-10-14(3)15-11-5-4-6-12-15/h13-15H,4-12H2,1-3H3.
What are the key properties of 7-methyloctan-2-ylcyclohexane?
7-methyloctan-2-ylcyclohexane has a molecular weight of 210.40 g/mol, XLogP of 5.42, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyloctan-2-ylcyclohexane is sourced from PubChem (CID 54518526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).