(E)-2,2-dimethyltetradec-5-en-3-one

C16H30O — CID 59409783

IUPAC(E)-2,2-dimethyltetradec-5-en-3-one
SMILESCCCCCCCC/C=C/CC(=O)C(C)(C)C
InChIInChI=1S/C16H30O/c1-5-6-7-8-9-10-11-12-13-14-15(17)16(2,3)4/h12-13H,5-11,14H2,1-4H3/b13-12+
InChIKeyVEKKOIWMVBJOID-OUKQBFOZSA-N
MW238.41 g/mol
LogP5.30
Rot. Bonds9

About (E)-2,2-dimethyltetradec-5-en-3-one

(E)-2,2-dimethyltetradec-5-en-3-one (PubChem CID 59409783) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is (E)-2,2-dimethyltetradec-5-en-3-one.

Molecular Properties

Compound Name(E)-2,2-dimethyltetradec-5-en-3-one
PubChem CID59409783
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name(E)-2,2-dimethyltetradec-5-en-3-one
SMILESCCCCCCCC/C=C/CC(=O)C(C)(C)C
InChIInChI=1S/C16H30O/c1-5-6-7-8-9-10-11-12-13-14-15(17)16(2,3)4/h12-13H,5-11,14H2,1-4H3/b13-12+
InChIKeyVEKKOIWMVBJOID-OUKQBFOZSA-N
XLogP5.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.41
LogP ≤ 55.30
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

non-3-enoyl chloride
CID 71403525
(Z)-undec-4-en-2-one
CID 177193877
nonadec-3-enamide
CID 54215031
carbonic acid;(Z)-octadec-9-ene
CID 87599003
(E)-dec-4-en-2-one
CID 12955998
acetic acid;(E)-tetradec-7-ene
CID 174697247
19-amino-19-methylheptatriaconta-9,28-diene-18,20-dione
CID 173351868
nonacos-6-ene
CID 25200821
nonacos-7-ene
CID 71381021
(Z)-triacont-9-ene
CID 57484178
hexacont-21-ene
CID 54293076
pentacos-9-ene
CID 25201650

Frequently Asked Questions

What is the IUPAC name of (E)-2,2-dimethyltetradec-5-en-3-one?
The IUPAC name of (E)-2,2-dimethyltetradec-5-en-3-one (CID 59409783) is (E)-2,2-dimethyltetradec-5-en-3-one.
What is the SMILES notation for (E)-2,2-dimethyltetradec-5-en-3-one?
The canonical SMILES for (E)-2,2-dimethyltetradec-5-en-3-one is CCCCCCCC/C=C/CC(=O)C(C)(C)C.
What is the InChIKey of (E)-2,2-dimethyltetradec-5-en-3-one?
The InChIKey is VEKKOIWMVBJOID-OUKQBFOZSA-N. The full InChI is InChI=1S/C16H30O/c1-5-6-7-8-9-10-11-12-13-14-15(17)16(2,3)4/h12-13H,5-11,14H2,1-4H3/b13-12+.
What are the key properties of (E)-2,2-dimethyltetradec-5-en-3-one?
(E)-2,2-dimethyltetradec-5-en-3-one has a molecular weight of 238.41 g/mol, XLogP of 5.30, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,2-dimethyltetradec-5-en-3-one is sourced from PubChem (CID 59409783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).