ethane;4-methylcycloheptene

C10H20 — CID 142851134

IUPACethane;4-methylcycloheptene
SMILESCC.CC1CC=CCCC1
InChIInChI=1S/C8H14.C2H6/c1-8-6-4-2-3-5-7-8;1-2/h2,4,8H,3,5-7H2,1H3;1-2H3
InChIKeyIJWYAFZGNQPARO-UHFFFAOYSA-N
MW140.27 g/mol
LogP3.78
Rot. Bonds

About ethane;4-methylcycloheptene

ethane;4-methylcycloheptene (PubChem CID 142851134) has the molecular formula C10H20 and a molecular weight of 140.27 g/mol. Its IUPAC name is ethane;4-methylcycloheptene.

Molecular Properties

Compound Nameethane;4-methylcycloheptene
PubChem CID142851134
Molecular FormulaC10H20
Molecular Weight140.27 g/mol
Exact Mass140.16
IUPAC Nameethane;4-methylcycloheptene
SMILESCC.CC1CC=CCCC1
InChIInChI=1S/C8H14.C2H6/c1-8-6-4-2-3-5-7-8;1-2/h2,4,8H,3,5-7H2,1H3;1-2H3
InChIKeyIJWYAFZGNQPARO-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.27
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methylcycloheptene?
The IUPAC name of ethane;4-methylcycloheptene (CID 142851134) is ethane;4-methylcycloheptene.
What is the SMILES notation for ethane;4-methylcycloheptene?
The canonical SMILES for ethane;4-methylcycloheptene is CC.CC1CC=CCCC1.
What is the InChIKey of ethane;4-methylcycloheptene?
The InChIKey is IJWYAFZGNQPARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14.C2H6/c1-8-6-4-2-3-5-7-8;1-2/h2,4,8H,3,5-7H2,1H3;1-2H3.
What are the key properties of ethane;4-methylcycloheptene?
ethane;4-methylcycloheptene has a molecular weight of 140.27 g/mol, XLogP of 3.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methylcycloheptene is sourced from PubChem (CID 142851134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).