pentadec-10-en-3-one

C15H28O — CID 175973732

IUPACpentadec-10-en-3-one
SMILESCCCCC=CCCCCCCC(=O)CC
InChIInChI=1S/C15H28O/c1-3-5-6-7-8-9-10-11-12-13-14-15(16)4-2/h7-8H,3-6,9-14H2,1-2H3
InChIKeyNZRHYEFJPQPRHW-UHFFFAOYSA-N
MW224.39 g/mol
LogP5.05
Rot. Bonds11

About pentadec-10-en-3-one

pentadec-10-en-3-one (PubChem CID 175973732) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is pentadec-10-en-3-one.

Molecular Properties

Compound Namepentadec-10-en-3-one
PubChem CID175973732
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Namepentadec-10-en-3-one
SMILESCCCCC=CCCCCCCC(=O)CC
InChIInChI=1S/C15H28O/c1-3-5-6-7-8-9-10-11-12-13-14-15(16)4-2/h7-8H,3-6,9-14H2,1-2H3
InChIKeyNZRHYEFJPQPRHW-UHFFFAOYSA-N
XLogP5.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.39
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

hexadec-6-en-3-one
CID 141403796
(E)-triacont-15-ene-8,23-dione
CID 11849500
(E)-undec-9-en-3-one
CID 22074109
heptan-3-one;non-2-ene
CID 175423097
decan-3-one;dec-3-en-2-one
CID 174922599
(E)-nonadec-12-en-9-one
CID 15584258
(6Z,9Z,12Z,25Z,28Z,31Z)-heptatriaconta-6,9,12,25,28,31-hexaen-19-one
CID 58205069
hexacosa-17,20-dien-9-one
CID 163047379
(20Z,23Z)-triaconta-20,23-dien-10-one
CID 126495161
(E)-tricos-18-enoic acid
CID 20847589
(E)-tetradec-9-enoic acid
CID 5312402
pentadec-10-en-2-one
CID 71443705

Frequently Asked Questions

What is the IUPAC name of pentadec-10-en-3-one?
The IUPAC name of pentadec-10-en-3-one (CID 175973732) is pentadec-10-en-3-one.
What is the SMILES notation for pentadec-10-en-3-one?
The canonical SMILES for pentadec-10-en-3-one is CCCCC=CCCCCCCC(=O)CC.
What is the InChIKey of pentadec-10-en-3-one?
The InChIKey is NZRHYEFJPQPRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-3-5-6-7-8-9-10-11-12-13-14-15(16)4-2/h7-8H,3-6,9-14H2,1-2H3.
What are the key properties of pentadec-10-en-3-one?
pentadec-10-en-3-one has a molecular weight of 224.39 g/mol, XLogP of 5.05, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentadec-10-en-3-one is sourced from PubChem (CID 175973732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).