9-(7-oxonon-8-enoxy)non-1-en-3-one

C18H30O3 — CID 140975480

IUPAC9-(7-oxonon-8-enoxy)non-1-en-3-one
SMILESC=CC(=O)CCCCCCOCCCCCCC(=O)C=C
InChIInChI=1S/C18H30O3/c1-3-17(19)13-9-5-7-11-15-21-16-12-8-6-10-14-18(20)4-2/h3-4H,1-2,5-16H2
InChIKeyGTLGXDHGJQRXSM-UHFFFAOYSA-N
MW294.44 g/mol
LogP4.41
Rot. Bonds16

About 9-(7-oxonon-8-enoxy)non-1-en-3-one

9-(7-oxonon-8-enoxy)non-1-en-3-one (PubChem CID 140975480) has the molecular formula C18H30O3 and a molecular weight of 294.44 g/mol. Its IUPAC name is 9-(7-oxonon-8-enoxy)non-1-en-3-one.

Molecular Properties

Compound Name9-(7-oxonon-8-enoxy)non-1-en-3-one
PubChem CID140975480
Molecular FormulaC18H30O3
Molecular Weight294.44 g/mol
Exact Mass294.22
IUPAC Name9-(7-oxonon-8-enoxy)non-1-en-3-one
SMILESC=CC(=O)CCCCCCOCCCCCCC(=O)C=C
InChIInChI=1S/C18H30O3/c1-3-17(19)13-9-5-7-11-15-21-16-12-8-6-10-14-18(20)4-2/h3-4H,1-2,5-16H2
InChIKeyGTLGXDHGJQRXSM-UHFFFAOYSA-N
XLogP4.41
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2Z)-1-oxacyclohexadec-2-en-4-one
CID 90000456
(11E)-1-oxacyclooctadec-11-ene-2,13-dione
CID 101948777
Ethyl 6-oxooct-7-enoate
CID 3264110
10-Undecenoic acid, 9-oxo-, methyl ester
CID 11127586
8-Methoxyoct-1-en-3-one
CID 20672825
7-Methoxynon-1-en-3-one
CID 21501219
1-Methoxypentadec-14-en-5-one
CID 21588951
1-Methoxyhexadec-15-en-6-one
CID 21588952
7-Oxonon-8-enyl prop-2-enoate
CID 22894397
9-Hydroxynon-1-en-3-one
CID 56612479
7-(5-Oxohept-6-enoxy)hept-1-en-3-one
CID 57277547
Propan-2-yl 7-oxonon-8-enoate
CID 58298917

Frequently Asked Questions

What is the IUPAC name of 9-(7-oxonon-8-enoxy)non-1-en-3-one?
The IUPAC name of 9-(7-oxonon-8-enoxy)non-1-en-3-one (CID 140975480) is 9-(7-oxonon-8-enoxy)non-1-en-3-one.
What is the SMILES notation for 9-(7-oxonon-8-enoxy)non-1-en-3-one?
The canonical SMILES for 9-(7-oxonon-8-enoxy)non-1-en-3-one is C=CC(=O)CCCCCCOCCCCCCC(=O)C=C.
What is the InChIKey of 9-(7-oxonon-8-enoxy)non-1-en-3-one?
The InChIKey is GTLGXDHGJQRXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O3/c1-3-17(19)13-9-5-7-11-15-21-16-12-8-6-10-14-18(20)4-2/h3-4H,1-2,5-16H2.
What are the key properties of 9-(7-oxonon-8-enoxy)non-1-en-3-one?
9-(7-oxonon-8-enoxy)non-1-en-3-one has a molecular weight of 294.44 g/mol, XLogP of 4.41, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(7-oxonon-8-enoxy)non-1-en-3-one is sourced from PubChem (CID 140975480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).