methylcycloheptane

C8H16 — CID 20082

IUPACmethylcycloheptane
SMILESCC1CCCCCC1
InChIInChI=1S/C8H16/c1-8-6-4-2-3-5-7-8/h8H,2-7H2,1H3
InChIKeyGYNNXHKOJHMOHS-UHFFFAOYSA-N
MW112.22 g/mol
LogP2.98
Rot. Bonds

About methylcycloheptane

methylcycloheptane (PubChem CID 20082) has the molecular formula C8H16 and a molecular weight of 112.22 g/mol. Its IUPAC name is methylcycloheptane.

Molecular Properties

Compound Namemethylcycloheptane
PubChem CID20082
Molecular FormulaC8H16
Molecular Weight112.22 g/mol
Exact Mass112.13
IUPAC Namemethylcycloheptane
SMILESCC1CCCCCC1
InChIInChI=1S/C8H16/c1-8-6-4-2-3-5-7-8/h8H,2-7H2,1H3
InChIKeyGYNNXHKOJHMOHS-UHFFFAOYSA-N
XLogP2.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.22
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-Methyldecane
CID 23415
2-Methyloctane
CID 18591
2-Methylundecane
CID 23459
Farnesane
CID 19773
2-Methylnonane
CID 13379
3-Methyldecane
CID 92239
3,6-Dimethyloctane
CID 85927
2,4-Dimethylheptane
CID 16656
4-Methyloctane
CID 16665
3-Methylnonane
CID 22202
4-Methylnonane
CID 28455
3,5-Dimethyloctane
CID 139989

Frequently Asked Questions

What is the IUPAC name of methylcycloheptane?
The IUPAC name of methylcycloheptane (CID 20082) is methylcycloheptane.
What is the SMILES notation for methylcycloheptane?
The canonical SMILES for methylcycloheptane is CC1CCCCCC1.
What is the InChIKey of methylcycloheptane?
The InChIKey is GYNNXHKOJHMOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16/c1-8-6-4-2-3-5-7-8/h8H,2-7H2,1H3.
What are the key properties of methylcycloheptane?
methylcycloheptane has a molecular weight of 112.22 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methylcycloheptane is sourced from PubChem (CID 20082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).