3-[1-methoxy-2-(methoxymethyl)pent-4-en-2-yl]cyclohexene

C14H24O2 — CID 101031966

IUPAC3-[1-methoxy-2-(methoxymethyl)pent-4-en-2-yl]cyclohexene
SMILESC=CCC(COC)(COC)C1C=CCCC1
InChIInChI=1S/C14H24O2/c1-4-10-14(11-15-2,12-16-3)13-8-6-5-7-9-13/h4,6,8,13H,1,5,7,9-12H2,2-3H3
InChIKeyIQPYRGQORIGBHB-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.20
Rot. Bonds7

About 3-[1-methoxy-2-(methoxymethyl)pent-4-en-2-yl]cyclohexene

3-[1-methoxy-2-(methoxymethyl)pent-4-en-2-yl]cyclohexene (PubChem CID 101031966) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 3-[1-methoxy-2-(methoxymethyl)pent-4-en-2-yl]cyclohexene.

Molecular Properties

Compound Name3-[1-methoxy-2-(methoxymethyl)pent-4-en-2-yl]cyclohexene
PubChem CID101031966
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name3-[1-methoxy-2-(methoxymethyl)pent-4-en-2-yl]cyclohexene
SMILESC=CCC(COC)(COC)C1C=CCCC1
InChIInChI=1S/C14H24O2/c1-4-10-14(11-15-2,12-16-3)13-8-6-5-7-9-13/h4,6,8,13H,1,5,7,9-12H2,2-3H3
InChIKeyIQPYRGQORIGBHB-UHFFFAOYSA-N
XLogP3.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[1-methoxy-2-(methoxymethyl)pent-4-en-2-yl]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 3-[1-methoxy-2-(methoxymethyl)pent-4-en-2-yl]cyclohexene?
The IUPAC name of 3-[1-methoxy-2-(methoxymethyl)pent-4-en-2-yl]cyclohexene (CID 101031966) is 3-[1-methoxy-2-(methoxymethyl)pent-4-en-2-yl]cyclohexene.
What is the SMILES notation for 3-[1-methoxy-2-(methoxymethyl)pent-4-en-2-yl]cyclohexene?
The canonical SMILES for 3-[1-methoxy-2-(methoxymethyl)pent-4-en-2-yl]cyclohexene is C=CCC(COC)(COC)C1C=CCCC1.
What is the InChIKey of 3-[1-methoxy-2-(methoxymethyl)pent-4-en-2-yl]cyclohexene?
The InChIKey is IQPYRGQORIGBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-4-10-14(11-15-2,12-16-3)13-8-6-5-7-9-13/h4,6,8,13H,1,5,7,9-12H2,2-3H3.
What are the key properties of 3-[1-methoxy-2-(methoxymethyl)pent-4-en-2-yl]cyclohexene?
3-[1-methoxy-2-(methoxymethyl)pent-4-en-2-yl]cyclohexene has a molecular weight of 224.34 g/mol, XLogP of 3.20, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-methoxy-2-(methoxymethyl)pent-4-en-2-yl]cyclohexene is sourced from PubChem (CID 101031966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).