3-ethenoxyhept-1-ene

C9H16O — CID 12734624

IUPAC3-ethenoxyhept-1-ene
SMILESC=COC(C=C)CCCC
InChIInChI=1S/C9H16O/c1-4-7-8-9(5-2)10-6-3/h5-6,9H,2-4,7-8H2,1H3
InChIKeyBBURWAPGVRKCJB-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.89
Rot. Bonds6

About 3-ethenoxyhept-1-ene

3-ethenoxyhept-1-ene (PubChem CID 12734624) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 3-ethenoxyhept-1-ene.

Molecular Properties

Compound Name3-ethenoxyhept-1-ene
PubChem CID12734624
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name3-ethenoxyhept-1-ene
SMILESC=COC(C=C)CCCC
InChIInChI=1S/C9H16O/c1-4-7-8-9(5-2)10-6-3/h5-6,9H,2-4,7-8H2,1H3
InChIKeyBBURWAPGVRKCJB-UHFFFAOYSA-N
XLogP2.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 3-ethenoxyhept-1-ene?
The IUPAC name of 3-ethenoxyhept-1-ene (CID 12734624) is 3-ethenoxyhept-1-ene.
What is the SMILES notation for 3-ethenoxyhept-1-ene?
The canonical SMILES for 3-ethenoxyhept-1-ene is C=COC(C=C)CCCC.
What is the InChIKey of 3-ethenoxyhept-1-ene?
The InChIKey is BBURWAPGVRKCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-4-7-8-9(5-2)10-6-3/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of 3-ethenoxyhept-1-ene?
3-ethenoxyhept-1-ene has a molecular weight of 140.23 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenoxyhept-1-ene is sourced from PubChem (CID 12734624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).