2-butylideneadamantane

C14H22 — CID 91748048

IUPAC2-butylideneadamantane
SMILESCCCC=C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H22/c1-2-3-4-14-12-6-10-5-11(8-12)9-13(14)7-10/h4,10-13H,2-3,5-9H2,1H3/b14-4-
InChIKeyQYYRVPQXQWMSSI-CPSFFCFKSA-N
MW190.33 g/mol
LogP4.17
Rot. Bonds2

About 2-butylideneadamantane

2-butylideneadamantane (PubChem CID 91748048) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 2-butylideneadamantane.

Molecular Properties

Compound Name2-butylideneadamantane
PubChem CID91748048
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name2-butylideneadamantane
SMILESCCCC=C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H22/c1-2-3-4-14-12-6-10-5-11(8-12)9-13(14)7-10/h4,10-13H,2-3,5-9H2,1H3/b14-4-
InChIKeyQYYRVPQXQWMSSI-CPSFFCFKSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-butylideneadamantane 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 2-butylideneadamantane?
The IUPAC name of 2-butylideneadamantane (CID 91748048) is 2-butylideneadamantane.
What is the SMILES notation for 2-butylideneadamantane?
The canonical SMILES for 2-butylideneadamantane is CCCC=C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-butylideneadamantane?
The InChIKey is QYYRVPQXQWMSSI-CPSFFCFKSA-N. The full InChI is InChI=1S/C14H22/c1-2-3-4-14-12-6-10-5-11(8-12)9-13(14)7-10/h4,10-13H,2-3,5-9H2,1H3/b14-4-.
What are the key properties of 2-butylideneadamantane?
2-butylideneadamantane has a molecular weight of 190.33 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylideneadamantane is sourced from PubChem (CID 91748048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).