hept-3-en-2-one;oct-3-en-2-one

C15H26O2 — CID 159843047

IUPAChept-3-en-2-one;oct-3-en-2-one
SMILESCCCC=CC(C)=O.CCCCC=CC(C)=O
InChIInChI=1S/C8H14O.C7H12O/c1-3-4-5-6-7-8(2)9;1-3-4-5-6-7(2)8/h6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3
InChIKeyNOXVINDDBLFKQS-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.25
Rot. Bonds7

About hept-3-en-2-one;oct-3-en-2-one

hept-3-en-2-one;oct-3-en-2-one (PubChem CID 159843047) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is hept-3-en-2-one;oct-3-en-2-one.

Molecular Properties

Compound Namehept-3-en-2-one;oct-3-en-2-one
PubChem CID159843047
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Namehept-3-en-2-one;oct-3-en-2-one
SMILESCCCC=CC(C)=O.CCCCC=CC(C)=O
InChIInChI=1S/C8H14O.C7H12O/c1-3-4-5-6-7-8(2)9;1-3-4-5-6-7(2)8/h6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3
InChIKeyNOXVINDDBLFKQS-UHFFFAOYSA-N
XLogP4.25
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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CID 158998324
(3E,11E)-tetradeca-3,11-diene-2,13-dione
CID 24974321
(3E,10Z,13Z)-nonadeca-3,10,13-trien-2-one
CID 102012881
CID 158204021
CID 158204021
zinc;hept-2-enoic acid;oxygen(2-)
CID 160568459
(2E,6E,10E,14E,18E)-tricosa-2,6,10,14,18-pentaenoic acid
CID 21286858
octadeca-2,11,13-trienoic acid
CID 173322272
(2E,4E)-3-methylnona-2,4-dienoic acid
CID 87750367
hexadecanoic acid;non-3-en-2-one
CID 161074659
hept-2-enoyl fluoride
CID 162347019

Frequently Asked Questions

What is the IUPAC name of hept-3-en-2-one;oct-3-en-2-one?
The IUPAC name of hept-3-en-2-one;oct-3-en-2-one (CID 159843047) is hept-3-en-2-one;oct-3-en-2-one.
What is the SMILES notation for hept-3-en-2-one;oct-3-en-2-one?
The canonical SMILES for hept-3-en-2-one;oct-3-en-2-one is CCCC=CC(C)=O.CCCCC=CC(C)=O.
What is the InChIKey of hept-3-en-2-one;oct-3-en-2-one?
The InChIKey is NOXVINDDBLFKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O.C7H12O/c1-3-4-5-6-7-8(2)9;1-3-4-5-6-7(2)8/h6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3.
What are the key properties of hept-3-en-2-one;oct-3-en-2-one?
hept-3-en-2-one;oct-3-en-2-one has a molecular weight of 238.37 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hept-3-en-2-one;oct-3-en-2-one is sourced from PubChem (CID 159843047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).