hexan-2-ylidenecyclopropane

C9H16 — CID 23205847

IUPAChexan-2-ylidenecyclopropane
SMILESCCCCC(C)=C1CC1
InChIInChI=1S/C9H16/c1-3-4-5-8(2)9-6-7-9/h3-7H2,1-2H3
InChIKeyGAICBPRNAXFDIG-UHFFFAOYSA-N
MW124.23 g/mol
LogP3.29
Rot. Bonds3

About hexan-2-ylidenecyclopropane

hexan-2-ylidenecyclopropane (PubChem CID 23205847) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is hexan-2-ylidenecyclopropane.

Molecular Properties

Compound Namehexan-2-ylidenecyclopropane
PubChem CID23205847
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Namehexan-2-ylidenecyclopropane
SMILESCCCCC(C)=C1CC1
InChIInChI=1S/C9H16/c1-3-4-5-8(2)9-6-7-9/h3-7H2,1-2H3
InChIKeyGAICBPRNAXFDIG-UHFFFAOYSA-N
XLogP3.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 53.29
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 hexan-2-ylidenecyclopropane?
The IUPAC name of hexan-2-ylidenecyclopropane (CID 23205847) is hexan-2-ylidenecyclopropane.
What is the SMILES notation for hexan-2-ylidenecyclopropane?
The canonical SMILES for hexan-2-ylidenecyclopropane is CCCCC(C)=C1CC1.
What is the InChIKey of hexan-2-ylidenecyclopropane?
The InChIKey is GAICBPRNAXFDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-3-4-5-8(2)9-6-7-9/h3-7H2,1-2H3.
What are the key properties of hexan-2-ylidenecyclopropane?
hexan-2-ylidenecyclopropane has a molecular weight of 124.23 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexan-2-ylidenecyclopropane is sourced from PubChem (CID 23205847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).