4-ethenoxyhept-3-ene

C9H16O — CID 174661198

IUPAC4-ethenoxyhept-3-ene
SMILESC=COC(=CCC)CCC
InChIInChI=1S/C9H16O/c1-4-7-9(8-5-2)10-6-3/h6-7H,3-5,8H2,1-2H3
InChIKeyIOAMTWPNVFVROE-UHFFFAOYSA-N
MW140.23 g/mol
LogP3.24
Rot. Bonds5

About 4-ethenoxyhept-3-ene

4-ethenoxyhept-3-ene (PubChem CID 174661198) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 4-ethenoxyhept-3-ene.

Molecular Properties

Compound Name4-ethenoxyhept-3-ene
PubChem CID174661198
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name4-ethenoxyhept-3-ene
SMILESC=COC(=CCC)CCC
InChIInChI=1S/C9H16O/c1-4-7-9(8-5-2)10-6-3/h6-7H,3-5,8H2,1-2H3
InChIKeyIOAMTWPNVFVROE-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

acetylene;ethane;(Z)-3-ethenoxyhex-3-ene
CID 143386947
ethanol;ethenyl butanoate
CID 87410894
ethenyl butanoate;prop-2-enal
CID 174800304
ethenyl 3-oxohexanoate
CID 57170487
butane-1,4-diol;ethenyl butanoate
CID 159135877
(Z)-3-[(Z)-hex-2-en-3-yl]oxyhex-2-ene
CID 87913404
ethenyl butanoate;ethenyl octadecanoate
CID 161122383
trimethyl-[(E)-oct-4-en-4-yl]oxysilane
CID 13461712
ethenyl acetate;ethyl butanoate
CID 174534174
ethenoxyethene;hexane;methanol
CID 174389238
O-ethenyl hexacosanethioate
CID 139759162
ethenyl heptatriacontanoate
CID 139682782

Frequently Asked Questions

What is the IUPAC name of 4-ethenoxyhept-3-ene?
The IUPAC name of 4-ethenoxyhept-3-ene (CID 174661198) is 4-ethenoxyhept-3-ene.
What is the SMILES notation for 4-ethenoxyhept-3-ene?
The canonical SMILES for 4-ethenoxyhept-3-ene is C=COC(=CCC)CCC.
What is the InChIKey of 4-ethenoxyhept-3-ene?
The InChIKey is IOAMTWPNVFVROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-4-7-9(8-5-2)10-6-3/h6-7H,3-5,8H2,1-2H3.
What are the key properties of 4-ethenoxyhept-3-ene?
4-ethenoxyhept-3-ene has a molecular weight of 140.23 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenoxyhept-3-ene is sourced from PubChem (CID 174661198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).