cycloheptane;methane

C12H34 — CID 160881115

IUPACcycloheptane;methane
SMILESC.C.C.C.C.C1CCCCCC1
InChIInChI=1S/C7H14.5CH4/c1-2-4-6-7-5-3-1;;;;;/h1-7H2;5*1H4
InChIKeySNARJZSGGKGIEX-UHFFFAOYSA-N
MW178.40 g/mol
LogP5.91
Rot. Bonds

About cycloheptane;methane

cycloheptane;methane (PubChem CID 160881115) has the molecular formula C12H34 and a molecular weight of 178.40 g/mol. Its IUPAC name is cycloheptane;methane.

Molecular Properties

Compound Namecycloheptane;methane
PubChem CID160881115
Molecular FormulaC12H34
Molecular Weight178.40 g/mol
Exact Mass178.27
IUPAC Namecycloheptane;methane
SMILESC.C.C.C.C.C1CCCCCC1
InChIInChI=1S/C7H14.5CH4/c1-2-4-6-7-5-3-1;;;;;/h1-7H2;5*1H4
InChIKeySNARJZSGGKGIEX-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500178.40
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze cycloheptane;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclobutane;methane
CID 158205110
nonakis(cyclohexane);methane
CID 159769101
cyclobutane;methane
CID 159348077
CID 159842804
CID 159842804
cyclobutane;cycloheptane;cyclohexane;cyclooctane;cyclopentane
CID 159212715
cyclobutane;cyclopropane
CID 159057906
cyclooctacosane
CID 520451
cyclooctane
CID 9266
cyclopentane
CID 141332554
cycloheptane;cyclopropane
CID 165090184
cyclobutane;ethene;methane
CID 159877544
cyclobutane;ethane;methane
CID 159400168

Frequently Asked Questions

What is the IUPAC name of cycloheptane;methane?
The IUPAC name of cycloheptane;methane (CID 160881115) is cycloheptane;methane.
What is the SMILES notation for cycloheptane;methane?
The canonical SMILES for cycloheptane;methane is C.C.C.C.C.C1CCCCCC1.
What is the InChIKey of cycloheptane;methane?
The InChIKey is SNARJZSGGKGIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.5CH4/c1-2-4-6-7-5-3-1;;;;;/h1-7H2;5*1H4.
What are the key properties of cycloheptane;methane?
cycloheptane;methane has a molecular weight of 178.40 g/mol, XLogP of 5.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptane;methane is sourced from PubChem (CID 160881115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).