1-ethoxy-4-methylundec-3-ene

C14H28O — CID 72800816

IUPAC1-ethoxy-4-methylundec-3-ene
SMILESCCCCCCCC(C)=CCCOCC
InChIInChI=1S/C14H28O/c1-4-6-7-8-9-11-14(3)12-10-13-15-5-2/h12H,4-11,13H2,1-3H3
InChIKeyVBYRWVQFCUMTQK-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.72
Rot. Bonds10

About 1-ethoxy-4-methylundec-3-ene

1-ethoxy-4-methylundec-3-ene (PubChem CID 72800816) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-ethoxy-4-methylundec-3-ene.

Molecular Properties

Compound Name1-ethoxy-4-methylundec-3-ene
PubChem CID72800816
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name1-ethoxy-4-methylundec-3-ene
SMILESCCCCCCCC(C)=CCCOCC
InChIInChI=1S/C14H28O/c1-4-6-7-8-9-11-14(3)12-10-13-15-5-2/h12H,4-11,13H2,1-3H3
InChIKeyVBYRWVQFCUMTQK-UHFFFAOYSA-N
XLogP4.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.72
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'}

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Related Compounds

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(E)-10-methylnonadec-9-ene
CID 5364653
7-methyloctadec-7-ene
CID 123477460
(E)-6-methylpentadec-5-ene;(E)-6-methylpentadec-6-ene
CID 54602757
4-methylheptadec-3-ene
CID 59169426
(E)-1-bromo-5-methylicos-4-ene
CID 172556960
4-methylnon-3-en-1-amine
CID 79593569
3,7,11-trimethylhexadeca-2,6,10-triene
CID 54031242
4-methylhexadec-4-ene
CID 174447790
(2E)-3,7-dimethyldodeca-2,6-dien-1-ol
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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-methylundec-3-ene?
The IUPAC name of 1-ethoxy-4-methylundec-3-ene (CID 72800816) is 1-ethoxy-4-methylundec-3-ene.
What is the SMILES notation for 1-ethoxy-4-methylundec-3-ene?
The canonical SMILES for 1-ethoxy-4-methylundec-3-ene is CCCCCCCC(C)=CCCOCC.
What is the InChIKey of 1-ethoxy-4-methylundec-3-ene?
The InChIKey is VBYRWVQFCUMTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-4-6-7-8-9-11-14(3)12-10-13-15-5-2/h12H,4-11,13H2,1-3H3.
What are the key properties of 1-ethoxy-4-methylundec-3-ene?
1-ethoxy-4-methylundec-3-ene has a molecular weight of 212.38 g/mol, XLogP of 4.72, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-methylundec-3-ene is sourced from PubChem (CID 72800816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).