1-methylidene-2-nona-3,8-diynylcyclopropane

C13H16 — CID 11378772

IUPAC1-methylidene-2-nona-3,8-diynylcyclopropane
SMILESC#CCCCC#CCCC1CC1=C
InChIInChI=1S/C13H16/c1-3-4-5-6-7-8-9-10-13-11-12(13)2/h1,13H,2,4-6,9-11H2
InChIKeyHWOHGBFYAWGUOU-UHFFFAOYSA-N
MW172.27 g/mol
LogP3.15
Rot. Bonds4

About 1-methylidene-2-nona-3,8-diynylcyclopropane

1-methylidene-2-nona-3,8-diynylcyclopropane (PubChem CID 11378772) has the molecular formula C13H16 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-methylidene-2-nona-3,8-diynylcyclopropane.

Molecular Properties

Compound Name1-methylidene-2-nona-3,8-diynylcyclopropane
PubChem CID11378772
Molecular FormulaC13H16
Molecular Weight172.27 g/mol
Exact Mass172.13
IUPAC Name1-methylidene-2-nona-3,8-diynylcyclopropane
SMILESC#CCCCC#CCCC1CC1=C
InChIInChI=1S/C13H16/c1-3-4-5-6-7-8-9-10-13-11-12(13)2/h1,13H,2,4-6,9-11H2
InChIKeyHWOHGBFYAWGUOU-UHFFFAOYSA-N
XLogP3.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.15
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-methylidene-2-nona-3,8-diynylcyclopropane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methylidene-2-nona-3,8-diynylcyclopropane?
The IUPAC name of 1-methylidene-2-nona-3,8-diynylcyclopropane (CID 11378772) is 1-methylidene-2-nona-3,8-diynylcyclopropane.
What is the SMILES notation for 1-methylidene-2-nona-3,8-diynylcyclopropane?
The canonical SMILES for 1-methylidene-2-nona-3,8-diynylcyclopropane is C#CCCCC#CCCC1CC1=C.
What is the InChIKey of 1-methylidene-2-nona-3,8-diynylcyclopropane?
The InChIKey is HWOHGBFYAWGUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16/c1-3-4-5-6-7-8-9-10-13-11-12(13)2/h1,13H,2,4-6,9-11H2.
What are the key properties of 1-methylidene-2-nona-3,8-diynylcyclopropane?
1-methylidene-2-nona-3,8-diynylcyclopropane has a molecular weight of 172.27 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylidene-2-nona-3,8-diynylcyclopropane is sourced from PubChem (CID 11378772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).