1-ethoxyhept-3-ene

C9H18O — CID 547708

IUPAC1-ethoxyhept-3-ene
SMILESCCCC=CCCOCC
InChIInChI=1S/C9H18O/c1-3-5-6-7-8-9-10-4-2/h6-7H,3-5,8-9H2,1-2H3
InChIKeyVHEVYASUBQAWME-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.77
Rot. Bonds6

About 1-ethoxyhept-3-ene

1-ethoxyhept-3-ene (PubChem CID 547708) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 1-ethoxyhept-3-ene.

Molecular Properties

Compound Name1-ethoxyhept-3-ene
PubChem CID547708
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name1-ethoxyhept-3-ene
SMILESCCCC=CCCOCC
InChIInChI=1S/C9H18O/c1-3-5-6-7-8-9-10-4-2/h6-7H,3-5,8-9H2,1-2H3
InChIKeyVHEVYASUBQAWME-UHFFFAOYSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.77
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

(E)-1-methoxyhept-3-ene
CID 13049937
(4Z,8E)-dodeca-4,8-diene
CID 12576906
(4E,8E)-dodeca-4,8-diene
CID 12576905
ethane;(E)-oct-4-ene
CID 142055407
(Z)-1-ethoxypentadec-7-ene
CID 87516958
(Z)-1-ethoxynonadec-9-ene
CID 87517612
(Z)-13-ethoxytridec-5-ene
CID 87205027
15-ethoxypentadec-7-ene
CID 91170991
(Z)-7-ethoxyhept-3-ene
CID 89382132
(E)-6-(ethoxymethoxy)hex-3-en-1-ol
CID 163205159
4-ethoxybut-1-ene
CID 533994
oct-4-enoxysilane
CID 154119837

Frequently Asked Questions

What is the IUPAC name of 1-ethoxyhept-3-ene?
The IUPAC name of 1-ethoxyhept-3-ene (CID 547708) is 1-ethoxyhept-3-ene.
What is the SMILES notation for 1-ethoxyhept-3-ene?
The canonical SMILES for 1-ethoxyhept-3-ene is CCCC=CCCOCC.
What is the InChIKey of 1-ethoxyhept-3-ene?
The InChIKey is VHEVYASUBQAWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-3-5-6-7-8-9-10-4-2/h6-7H,3-5,8-9H2,1-2H3.
What are the key properties of 1-ethoxyhept-3-ene?
1-ethoxyhept-3-ene has a molecular weight of 142.24 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxyhept-3-ene is sourced from PubChem (CID 547708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).