1-prop-1-enyl-3-propyladamantane

C16H26 — CID 600162

IUPAC1-prop-1-enyl-3-propyladamantane
SMILESCC=CC12CC3CC(C1)CC(CCC)(C3)C2
InChIInChI=1S/C16H26/c1-3-5-15-8-13-7-14(9-15)11-16(10-13,12-15)6-4-2/h3,5,13-14H,4,6-12H2,1-2H3
InChIKeyCRKGQMSUXYSVOM-UHFFFAOYSA-N
MW218.38 g/mol
LogP4.95
Rot. Bonds3

About 1-prop-1-enyl-3-propyladamantane

1-prop-1-enyl-3-propyladamantane (PubChem CID 600162) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is 1-prop-1-enyl-3-propyladamantane.

Molecular Properties

Compound Name1-prop-1-enyl-3-propyladamantane
PubChem CID600162
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name1-prop-1-enyl-3-propyladamantane
SMILESCC=CC12CC3CC(C1)CC(CCC)(C3)C2
InChIInChI=1S/C16H26/c1-3-5-15-8-13-7-14(9-15)11-16(10-13,12-15)6-4-2/h3,5,13-14H,4,6-12H2,1-2H3
InChIKeyCRKGQMSUXYSVOM-UHFFFAOYSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.38
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-prop-1-enyl-3-propyladamantane 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-prop-1-enyl-3-propyladamantane?
The IUPAC name of 1-prop-1-enyl-3-propyladamantane (CID 600162) is 1-prop-1-enyl-3-propyladamantane.
What is the SMILES notation for 1-prop-1-enyl-3-propyladamantane?
The canonical SMILES for 1-prop-1-enyl-3-propyladamantane is CC=CC12CC3CC(C1)CC(CCC)(C3)C2.
What is the InChIKey of 1-prop-1-enyl-3-propyladamantane?
The InChIKey is CRKGQMSUXYSVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26/c1-3-5-15-8-13-7-14(9-15)11-16(10-13,12-15)6-4-2/h3,5,13-14H,4,6-12H2,1-2H3.
What are the key properties of 1-prop-1-enyl-3-propyladamantane?
1-prop-1-enyl-3-propyladamantane has a molecular weight of 218.38 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-1-enyl-3-propyladamantane is sourced from PubChem (CID 600162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).