(E)-2-ethenoxyhept-3-ene

C9H16O — CID 102248112

IUPAC(E)-2-ethenoxyhept-3-ene
SMILESC=COC(C)/C=C/CCC
InChIInChI=1S/C9H16O/c1-4-6-7-8-9(3)10-5-2/h5,7-9H,2,4,6H2,1,3H3/b8-7+
InChIKeyFSBIQWNZXOHCEJ-BQYQJAHWSA-N
MW140.23 g/mol
LogP2.89
Rot. Bonds5

About (E)-2-ethenoxyhept-3-ene

(E)-2-ethenoxyhept-3-ene (PubChem CID 102248112) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (E)-2-ethenoxyhept-3-ene.

Molecular Properties

Compound Name(E)-2-ethenoxyhept-3-ene
PubChem CID102248112
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(E)-2-ethenoxyhept-3-ene
SMILESC=COC(C)/C=C/CCC
InChIInChI=1S/C9H16O/c1-4-6-7-8-9(3)10-5-2/h5,7-9H,2,4,6H2,1,3H3/b8-7+
InChIKeyFSBIQWNZXOHCEJ-BQYQJAHWSA-N
XLogP2.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-methylocta-1,4-diene
CID 123442447
(Z,4S)-4-ethenoxypent-2-ene
CID 134859138
3,4-dimethylnona-1,5-diene
CID 57098033
tert-butyl-[(Z,2R)-hept-3-en-2-yl]oxy-dimethylsilane
CID 134856373
(6R)-6-methylnon-4-ene
CID 175484589
(E)-2,3-dimethyloct-4-ene
CID 173368392
(E)-1-methoxyhex-2-en-1-ol
CID 130131054
trimethyl(oct-3-en-2-yloxy)silane
CID 531269
(3S,4S)-3-methylnon-5-en-4-amine
CID 57021355
(5E)-nona-1,5-dien-4-ol
CID 10931514
2-ethenoxybutane
CID 13172912
(E,2S)-2-methylhept-3-enal
CID 124565519

Frequently Asked Questions

What is the IUPAC name of (E)-2-ethenoxyhept-3-ene?
The IUPAC name of (E)-2-ethenoxyhept-3-ene (CID 102248112) is (E)-2-ethenoxyhept-3-ene.
What is the SMILES notation for (E)-2-ethenoxyhept-3-ene?
The canonical SMILES for (E)-2-ethenoxyhept-3-ene is C=COC(C)/C=C/CCC.
What is the InChIKey of (E)-2-ethenoxyhept-3-ene?
The InChIKey is FSBIQWNZXOHCEJ-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H16O/c1-4-6-7-8-9(3)10-5-2/h5,7-9H,2,4,6H2,1,3H3/b8-7+.
What are the key properties of (E)-2-ethenoxyhept-3-ene?
(E)-2-ethenoxyhept-3-ene has a molecular weight of 140.23 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethenoxyhept-3-ene is sourced from PubChem (CID 102248112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).