heptan-2-ylidenecyclopropane

C10H18 — CID 123254975

IUPACheptan-2-ylidenecyclopropane
SMILESCCCCCC(C)=C1CC1
InChIInChI=1S/C10H18/c1-3-4-5-6-9(2)10-7-8-10/h3-8H2,1-2H3
InChIKeyWIKIDQPIKUWLCV-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.68
Rot. Bonds4

About heptan-2-ylidenecyclopropane

heptan-2-ylidenecyclopropane (PubChem CID 123254975) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is heptan-2-ylidenecyclopropane.

Molecular Properties

Compound Nameheptan-2-ylidenecyclopropane
PubChem CID123254975
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Nameheptan-2-ylidenecyclopropane
SMILESCCCCCC(C)=C1CC1
InChIInChI=1S/C10H18/c1-3-4-5-6-9(2)10-7-8-10/h3-8H2,1-2H3
InChIKeyWIKIDQPIKUWLCV-UHFFFAOYSA-N
XLogP3.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze heptan-2-ylidenecyclopropane 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

nonan-2-ylidenecyclopropane
CID 11446546
undecan-2-ylidenecyclobutane
CID 123541607
N-butyl-9-cyclopropylidene-N-methyldecan-1-amine
CID 168880713
dodecan-5-ylidenecyclopropane
CID 134896338
8,9-dimethylhexadec-8-ene
CID 140717938
cyclohexane;heptan-2-one
CID 159731064
1-butan-2-yl-3-[7-(3-butan-2-ylphenyl)-4-methyloctan-2-yl]benzene;ethane;nonan-2-ylidenecyclobutane
CID 156747032
3-octan-2-ylidene-5-sulfanylidenepyrrolidin-2-one
CID 90896354
N-acetyl-N-methyltetradecanamide
CID 54508567
1-(4,4-dimethyldecan-5-ylidene)-4-methylidenecyclohexane
CID 163959015
N-decanoyl-N-methyldecanamide
CID 141076390
9,10-dioctyloctadec-9-ene
CID 10814462

Frequently Asked Questions

What is the IUPAC name of heptan-2-ylidenecyclopropane?
The IUPAC name of heptan-2-ylidenecyclopropane (CID 123254975) is heptan-2-ylidenecyclopropane.
What is the SMILES notation for heptan-2-ylidenecyclopropane?
The canonical SMILES for heptan-2-ylidenecyclopropane is CCCCCC(C)=C1CC1.
What is the InChIKey of heptan-2-ylidenecyclopropane?
The InChIKey is WIKIDQPIKUWLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-3-4-5-6-9(2)10-7-8-10/h3-8H2,1-2H3.
What are the key properties of heptan-2-ylidenecyclopropane?
heptan-2-ylidenecyclopropane has a molecular weight of 138.25 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptan-2-ylidenecyclopropane is sourced from PubChem (CID 123254975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).