oct-1-en-4-yl formate

C9H16O2 — CID 87501677

IUPACoct-1-en-4-yl formate
SMILESC=CCC(CCCC)OC=O
InChIInChI=1S/C9H16O2/c1-3-5-7-9(6-4-2)11-8-10/h4,8-9H,2-3,5-7H2,1H3
InChIKeyJSIZEYIICAQWRW-UHFFFAOYSA-N
MW156.23 g/mol
LogP2.29
Rot. Bonds7

About oct-1-en-4-yl formate

oct-1-en-4-yl formate (PubChem CID 87501677) has the molecular formula C9H16O2 and a molecular weight of 156.23 g/mol. Its IUPAC name is oct-1-en-4-yl formate.

Molecular Properties

Compound Nameoct-1-en-4-yl formate
PubChem CID87501677
Molecular FormulaC9H16O2
Molecular Weight156.23 g/mol
Exact Mass156.12
IUPAC Nameoct-1-en-4-yl formate
SMILESC=CCC(CCCC)OC=O
InChIInChI=1S/C9H16O2/c1-3-5-7-9(6-4-2)11-8-10/h4,8-9H,2-3,5-7H2,1H3
InChIKeyJSIZEYIICAQWRW-UHFFFAOYSA-N
XLogP2.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-oct-1-en-4-ylperoxyoct-1-ene
CID 87401104
4-ethenoxyundec-1-ene
CID 101420327
octadecan-8-yl formate
CID 171797323
hexatriacontan-18-yl formate
CID 144696165
4-methoxynon-1-ene
CID 13284925
2-butyl-4-trimethylsilyloxyhept-6-enal
CID 57299910
oct-1-en-4-yloxymethanedithioic acid
CID 88696444
non-1-en-4-yl propanoate
CID 139804434
[oct-1-en-4-yloxy(diphenyl)methyl]benzene
CID 70568043
undeca-1,5-dien-4-yl formate
CID 173393596
nonadec-1-en-4-yl prop-2-enoate
CID 11393552
1-aminopentyl formate
CID 57047704

Frequently Asked Questions

What is the IUPAC name of oct-1-en-4-yl formate?
The IUPAC name of oct-1-en-4-yl formate (CID 87501677) is oct-1-en-4-yl formate.
What is the SMILES notation for oct-1-en-4-yl formate?
The canonical SMILES for oct-1-en-4-yl formate is C=CCC(CCCC)OC=O.
What is the InChIKey of oct-1-en-4-yl formate?
The InChIKey is JSIZEYIICAQWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-5-7-9(6-4-2)11-8-10/h4,8-9H,2-3,5-7H2,1H3.
What are the key properties of oct-1-en-4-yl formate?
oct-1-en-4-yl formate has a molecular weight of 156.23 g/mol, XLogP of 2.29, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oct-1-en-4-yl formate is sourced from PubChem (CID 87501677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).