1-(furan-3-yl)oct-7-en-1-one

C12H16O2 — CID 107008234

IUPAC1-(furan-3-yl)oct-7-en-1-one
SMILESC=CCCCCCC(=O)c1ccoc1
InChIInChI=1S/C12H16O2/c1-2-3-4-5-6-7-12(13)11-8-9-14-10-11/h2,8-10H,1,3-7H2
InChIKeyFARMTPZAQJCWCK-UHFFFAOYSA-N
MW192.26 g/mol
LogP3.60
Rot. Bonds7

About 1-(furan-3-yl)oct-7-en-1-one

1-(furan-3-yl)oct-7-en-1-one (PubChem CID 107008234) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-(furan-3-yl)oct-7-en-1-one.

Molecular Properties

Compound Name1-(furan-3-yl)oct-7-en-1-one
PubChem CID107008234
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name1-(furan-3-yl)oct-7-en-1-one
SMILESC=CCCCCCC(=O)c1ccoc1
InChIInChI=1S/C12H16O2/c1-2-3-4-5-6-7-12(13)11-8-9-14-10-11/h2,8-10H,1,3-7H2
InChIKeyFARMTPZAQJCWCK-UHFFFAOYSA-N
XLogP3.60
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

1-(4-fluorophenyl)oct-7-en-1-one
CID 76810289
1-(4-fluorophenyl)oct-7-en-1-one
CID 58518883
CID 10950068
CID 10950068
1-(5-iodothiophen-3-yl)oct-7-en-1-one
CID 107011173
1-(2-aminophenyl)oct-7-en-1-one
CID 107008243
tricosa-1,22-dien-12-one
CID 86210796
1-(4-tert-butylphenyl)hex-5-en-1-one
CID 114974758
1-(2,3-dimethylphenyl)oct-7-en-1-one
CID 107011226
1-(3-bromothiophen-2-yl)oct-7-en-1-one
CID 107011112
1-(furan-3-yl)-3-propoxypropan-1-one
CID 105099129
1-pyrimidin-5-ylhex-5-en-1-one
CID 102923144
1-(3,5-dibromophenyl)hex-5-en-1-one
CID 107976917

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)oct-7-en-1-one?
The IUPAC name of 1-(furan-3-yl)oct-7-en-1-one (CID 107008234) is 1-(furan-3-yl)oct-7-en-1-one.
What is the SMILES notation for 1-(furan-3-yl)oct-7-en-1-one?
The canonical SMILES for 1-(furan-3-yl)oct-7-en-1-one is C=CCCCCCC(=O)c1ccoc1.
What is the InChIKey of 1-(furan-3-yl)oct-7-en-1-one?
The InChIKey is FARMTPZAQJCWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-2-3-4-5-6-7-12(13)11-8-9-14-10-11/h2,8-10H,1,3-7H2.
What are the key properties of 1-(furan-3-yl)oct-7-en-1-one?
1-(furan-3-yl)oct-7-en-1-one has a molecular weight of 192.26 g/mol, XLogP of 3.60, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)oct-7-en-1-one is sourced from PubChem (CID 107008234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).