3-cyclopentylidenespiro[3.4]octane

C13H20 — CID 163859231

IUPAC3-cyclopentylidenespiro[3.4]octane
SMILESC1CCC(=C2CCC23CCCC3)C1
InChIInChI=1S/C13H20/c1-2-6-11(5-1)12-7-10-13(12)8-3-4-9-13/h1-10H2
InChIKeyPBAVPCNYIZZUER-UHFFFAOYSA-N
MW176.30 g/mol
LogP4.21
Rot. Bonds

About 3-cyclopentylidenespiro[3.4]octane

3-cyclopentylidenespiro[3.4]octane (PubChem CID 163859231) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 3-cyclopentylidenespiro[3.4]octane.

Molecular Properties

Compound Name3-cyclopentylidenespiro[3.4]octane
PubChem CID163859231
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name3-cyclopentylidenespiro[3.4]octane
SMILESC1CCC(=C2CCC23CCCC3)C1
InChIInChI=1S/C13H20/c1-2-6-11(5-1)12-7-10-13(12)8-3-4-9-13/h1-10H2
InChIKeyPBAVPCNYIZZUER-UHFFFAOYSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

8-Cyclopropylidenespiro[3.4]octane
CID 13662129
3-Cyclobutylidenespiro[4.4]nonane
CID 134964153
1-Methyl-2-(1-methylcyclobutyl)cyclopentene
CID 57126334
3-Cyclohexylidenespiro[3.4]octane
CID 91260959
2,2,3,4-Tetramethylspiro[4.4]non-3-ene
CID 123214983
1-Butyl-1-methyl-2-propan-2-ylidenecyclobutane
CID 123702503
1,2,3,4-Tetramethylbicyclo[2.1.1]hex-2-ene
CID 123953331
12,13-Dimethyldispiro[4.1.47.25]tridec-12-ene
CID 124028126
Tricyclo[3.3.0.01,4]oct-4-ene
CID 144251761
5-(2-Ethyl-1,3-dimethylcycloprop-2-en-1-yl)bicyclo[2.1.1]hexane
CID 149292752
Tricyclo[3.2.1.01,4]oct-4-ene
CID 153658989
Tricyclo[4.2.1.01,5]non-5-ene
CID 163497592

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylidenespiro[3.4]octane?
The IUPAC name of 3-cyclopentylidenespiro[3.4]octane (CID 163859231) is 3-cyclopentylidenespiro[3.4]octane.
What is the SMILES notation for 3-cyclopentylidenespiro[3.4]octane?
The canonical SMILES for 3-cyclopentylidenespiro[3.4]octane is C1CCC(=C2CCC23CCCC3)C1.
What is the InChIKey of 3-cyclopentylidenespiro[3.4]octane?
The InChIKey is PBAVPCNYIZZUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-2-6-11(5-1)12-7-10-13(12)8-3-4-9-13/h1-10H2.
What are the key properties of 3-cyclopentylidenespiro[3.4]octane?
3-cyclopentylidenespiro[3.4]octane has a molecular weight of 176.30 g/mol, XLogP of 4.21, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylidenespiro[3.4]octane is sourced from PubChem (CID 163859231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).