1-(3-methoxyprop-1-ynyl)cyclohexene

C10H14O — CID 10487022

IUPAC1-(3-methoxyprop-1-ynyl)cyclohexene
SMILESCOCC#CC1=CCCCC1
InChIInChI=1S/C10H14O/c1-11-9-5-8-10-6-3-2-4-7-10/h6H,2-4,7,9H2,1H3
InChIKeyBFTDLXLYHIZWNH-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.14
Rot. Bonds1

About 1-(3-methoxyprop-1-ynyl)cyclohexene

1-(3-methoxyprop-1-ynyl)cyclohexene (PubChem CID 10487022) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-(3-methoxyprop-1-ynyl)cyclohexene.

Molecular Properties

Compound Name1-(3-methoxyprop-1-ynyl)cyclohexene
PubChem CID10487022
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name1-(3-methoxyprop-1-ynyl)cyclohexene
SMILESCOCC#CC1=CCCCC1
InChIInChI=1S/C10H14O/c1-11-9-5-8-10-6-3-2-4-7-10/h6H,2-4,7,9H2,1H3
InChIKeyBFTDLXLYHIZWNH-UHFFFAOYSA-N
XLogP2.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(3-methoxyprop-1-ynyl)cyclohexene 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-(3-methoxyprop-1-ynyl)cyclohexene?
The IUPAC name of 1-(3-methoxyprop-1-ynyl)cyclohexene (CID 10487022) is 1-(3-methoxyprop-1-ynyl)cyclohexene.
What is the SMILES notation for 1-(3-methoxyprop-1-ynyl)cyclohexene?
The canonical SMILES for 1-(3-methoxyprop-1-ynyl)cyclohexene is COCC#CC1=CCCCC1.
What is the InChIKey of 1-(3-methoxyprop-1-ynyl)cyclohexene?
The InChIKey is BFTDLXLYHIZWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-11-9-5-8-10-6-3-2-4-7-10/h6H,2-4,7,9H2,1H3.
What are the key properties of 1-(3-methoxyprop-1-ynyl)cyclohexene?
1-(3-methoxyprop-1-ynyl)cyclohexene has a molecular weight of 150.22 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyprop-1-ynyl)cyclohexene is sourced from PubChem (CID 10487022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).