2-methyloctan-3-ylcycloheptane

C16H32 — CID 123273196

IUPAC2-methyloctan-3-ylcycloheptane
SMILESCCCCCC(C(C)C)C1CCCCCC1
InChIInChI=1S/C16H32/c1-4-5-8-13-16(14(2)3)15-11-9-6-7-10-12-15/h14-16H,4-13H2,1-3H3
InChIKeyGNUBVHVOMXDKNZ-UHFFFAOYSA-N
MW224.43 g/mol
LogP5.81
Rot. Bonds6

About 2-methyloctan-3-ylcycloheptane

2-methyloctan-3-ylcycloheptane (PubChem CID 123273196) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is 2-methyloctan-3-ylcycloheptane.

Molecular Properties

Compound Name2-methyloctan-3-ylcycloheptane
PubChem CID123273196
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Name2-methyloctan-3-ylcycloheptane
SMILESCCCCCC(C(C)C)C1CCCCCC1
InChIInChI=1S/C16H32/c1-4-5-8-13-16(14(2)3)15-11-9-6-7-10-12-15/h14-16H,4-13H2,1-3H3
InChIKeyGNUBVHVOMXDKNZ-UHFFFAOYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
LogP ≤ 55.81
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

2-cyclohexyl-1-N,1-N'-di(propan-2-yl)undecane-1,1-diamine
CID 151929616
4,5-dimethyldecan-3-ylcyclopentane
CID 167499527
3-cyclohexyl-4-methylpentan-1-ol
CID 121406245
1-cyclohexylheptylcyclohexane
CID 16404
hexadecan-8-ylcyclohexane
CID 91510029
1-cycloheptyldecylcycloheptane
CID 20559033
undecan-5-ylcyclohexane
CID 524419
1-cycloheptylheptan-1-amine
CID 65399314
1-cyclooctylundecan-1-ol
CID 80603651
N-[(1R)-1-cycloheptylethyl]heptan-2-amine
CID 81390133
butan-2-ylcyclohexane;heptane
CID 143477095
N-heptan-2-ylcycloheptanamine
CID 43082272

Frequently Asked Questions

What is the IUPAC name of 2-methyloctan-3-ylcycloheptane?
The IUPAC name of 2-methyloctan-3-ylcycloheptane (CID 123273196) is 2-methyloctan-3-ylcycloheptane.
What is the SMILES notation for 2-methyloctan-3-ylcycloheptane?
The canonical SMILES for 2-methyloctan-3-ylcycloheptane is CCCCCC(C(C)C)C1CCCCCC1.
What is the InChIKey of 2-methyloctan-3-ylcycloheptane?
The InChIKey is GNUBVHVOMXDKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32/c1-4-5-8-13-16(14(2)3)15-11-9-6-7-10-12-15/h14-16H,4-13H2,1-3H3.
What are the key properties of 2-methyloctan-3-ylcycloheptane?
2-methyloctan-3-ylcycloheptane has a molecular weight of 224.43 g/mol, XLogP of 5.81, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyloctan-3-ylcycloheptane is sourced from PubChem (CID 123273196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).