3-ethenyl-3,4-dimethoxydodec-1-ene

C16H30O2 — CID 150796789

IUPAC3-ethenyl-3,4-dimethoxydodec-1-ene
SMILESC=CC(C=C)(OC)C(CCCCCCCC)OC
InChIInChI=1S/C16H30O2/c1-6-9-10-11-12-13-14-15(17-4)16(7-2,8-3)18-5/h7-8,15H,2-3,6,9-14H2,1,4-5H3
InChIKeyKFABFYZCRBAGLA-UHFFFAOYSA-N
MW254.41 g/mol
LogP4.51
Rot. Bonds12

About 3-ethenyl-3,4-dimethoxydodec-1-ene

3-ethenyl-3,4-dimethoxydodec-1-ene (PubChem CID 150796789) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 3-ethenyl-3,4-dimethoxydodec-1-ene.

Molecular Properties

Compound Name3-ethenyl-3,4-dimethoxydodec-1-ene
PubChem CID150796789
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name3-ethenyl-3,4-dimethoxydodec-1-ene
SMILESC=CC(C=C)(OC)C(CCCCCCCC)OC
InChIInChI=1S/C16H30O2/c1-6-9-10-11-12-13-14-15(17-4)16(7-2,8-3)18-5/h7-8,15H,2-3,6,9-14H2,1,4-5H3
InChIKeyKFABFYZCRBAGLA-UHFFFAOYSA-N
XLogP4.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-3,4-dimethoxydodec-1-ene?
The IUPAC name of 3-ethenyl-3,4-dimethoxydodec-1-ene (CID 150796789) is 3-ethenyl-3,4-dimethoxydodec-1-ene.
What is the SMILES notation for 3-ethenyl-3,4-dimethoxydodec-1-ene?
The canonical SMILES for 3-ethenyl-3,4-dimethoxydodec-1-ene is C=CC(C=C)(OC)C(CCCCCCCC)OC.
What is the InChIKey of 3-ethenyl-3,4-dimethoxydodec-1-ene?
The InChIKey is KFABFYZCRBAGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-6-9-10-11-12-13-14-15(17-4)16(7-2,8-3)18-5/h7-8,15H,2-3,6,9-14H2,1,4-5H3.
What are the key properties of 3-ethenyl-3,4-dimethoxydodec-1-ene?
3-ethenyl-3,4-dimethoxydodec-1-ene has a molecular weight of 254.41 g/mol, XLogP of 4.51, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-3,4-dimethoxydodec-1-ene is sourced from PubChem (CID 150796789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).