6-methoxyundec-3-ene

C12H24O — CID 54369275

IUPAC6-methoxyundec-3-ene
SMILESCCC=CCC(CCCCC)OC
InChIInChI=1S/C12H24O/c1-4-6-8-10-12(13-3)11-9-7-5-2/h6,8,12H,4-5,7,9-11H2,1-3H3
InChIKeyURZUQFONTPPCFE-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.94
Rot. Bonds8

About 6-methoxyundec-3-ene

6-methoxyundec-3-ene (PubChem CID 54369275) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 6-methoxyundec-3-ene.

Molecular Properties

Compound Name6-methoxyundec-3-ene
PubChem CID54369275
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name6-methoxyundec-3-ene
SMILESCCC=CCC(CCCCC)OC
InChIInChI=1S/C12H24O/c1-4-6-8-10-12(13-3)11-9-7-5-2/h6,8,12H,4-5,7,9-11H2,1-3H3
InChIKeyURZUQFONTPPCFE-UHFFFAOYSA-N
XLogP3.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-methoxyundec-3-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-Epoxy-5,9-cyclododecadiene
CID 5357430
9R,10S-Epoxy-3Z,6Z-heneicosadiene
CID 11833742
9,10-Epoxy-1,5-cyclododecadiene
CID 6025413
9R,10S-Epoxy-6Z-heneicosene
CID 11809018
3S,4R-epoxy-6Z,9Z-heptadecadiene
CID 14681521
3R,4S-epoxy-6Z,9Z-heptadecadiene
CID 14681522
Oleyl alcohol, methyl ether
CID 12550087
2-hept-6-enyl-3-[(2Z,5E)-octa-2,5-dienyl]oxirane
CID 177644771
(2R,3R)-2-hept-6-enyl-3-[(2Z,5Z)-octa-2,5-dienyl]oxirane
CID 162921617
(2R,3S)-2-hept-6-enyl-3-[(2Z,5Z)-octa-2,5-dienyl]oxirane
CID 163185194
1-Methoxyoctadec-9-ene
CID 551192
5-Methoxy-cyclooctene
CID 5365282

Frequently Asked Questions

What is the IUPAC name of 6-methoxyundec-3-ene?
The IUPAC name of 6-methoxyundec-3-ene (CID 54369275) is 6-methoxyundec-3-ene.
What is the SMILES notation for 6-methoxyundec-3-ene?
The canonical SMILES for 6-methoxyundec-3-ene is CCC=CCC(CCCCC)OC.
What is the InChIKey of 6-methoxyundec-3-ene?
The InChIKey is URZUQFONTPPCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-4-6-8-10-12(13-3)11-9-7-5-2/h6,8,12H,4-5,7,9-11H2,1-3H3.
What are the key properties of 6-methoxyundec-3-ene?
6-methoxyundec-3-ene has a molecular weight of 184.32 g/mol, XLogP of 3.94, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxyundec-3-ene is sourced from PubChem (CID 54369275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).