3-cyclohexylidenespiro[3.4]octane

C14H22 — CID 91260959

IUPAC3-cyclohexylidenespiro[3.4]octane
SMILESC1CCC(=C2CCC23CCCC3)CC1
InChIInChI=1S/C14H22/c1-2-6-12(7-3-1)13-8-11-14(13)9-4-5-10-14/h1-11H2
InChIKeySHBYEMHKYIGCSB-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.60
Rot. Bonds

About 3-cyclohexylidenespiro[3.4]octane

3-cyclohexylidenespiro[3.4]octane (PubChem CID 91260959) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 3-cyclohexylidenespiro[3.4]octane.

Molecular Properties

Compound Name3-cyclohexylidenespiro[3.4]octane
PubChem CID91260959
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name3-cyclohexylidenespiro[3.4]octane
SMILESC1CCC(=C2CCC23CCCC3)CC1
InChIInChI=1S/C14H22/c1-2-6-12(7-3-1)13-8-11-14(13)9-4-5-10-14/h1-11H2
InChIKeySHBYEMHKYIGCSB-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.60
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 3-cyclohexylidenespiro[3.4]octane?
The IUPAC name of 3-cyclohexylidenespiro[3.4]octane (CID 91260959) is 3-cyclohexylidenespiro[3.4]octane.
What is the SMILES notation for 3-cyclohexylidenespiro[3.4]octane?
The canonical SMILES for 3-cyclohexylidenespiro[3.4]octane is C1CCC(=C2CCC23CCCC3)CC1.
What is the InChIKey of 3-cyclohexylidenespiro[3.4]octane?
The InChIKey is SHBYEMHKYIGCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-2-6-12(7-3-1)13-8-11-14(13)9-4-5-10-14/h1-11H2.
What are the key properties of 3-cyclohexylidenespiro[3.4]octane?
3-cyclohexylidenespiro[3.4]octane has a molecular weight of 190.33 g/mol, XLogP of 4.60, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylidenespiro[3.4]octane is sourced from PubChem (CID 91260959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).