(Z)-1-phenyltetradec-1-en-3-one

C20H30O — CID 98536945

IUPAC(Z)-1-phenyltetradec-1-en-3-one
SMILESCCCCCCCCCCCC(=O)/C=C\c1ccccc1
InChIInChI=1S/C20H30O/c1-2-3-4-5-6-7-8-9-13-16-20(21)18-17-19-14-11-10-12-15-19/h10-12,14-15,17-18H,2-9,13,16H2,1H3/b18-17-
InChIKeyOCOPJESYLDPMTN-ZCXUNETKSA-N
MW286.46 g/mol
LogP6.19
Rot. Bonds12

About (Z)-1-phenyltetradec-1-en-3-one

(Z)-1-phenyltetradec-1-en-3-one (PubChem CID 98536945) has the molecular formula C20H30O and a molecular weight of 286.46 g/mol. Its IUPAC name is (Z)-1-phenyltetradec-1-en-3-one.

Molecular Properties

Compound Name(Z)-1-phenyltetradec-1-en-3-one
PubChem CID98536945
Molecular FormulaC20H30O
Molecular Weight286.46 g/mol
Exact Mass286.23
IUPAC Name(Z)-1-phenyltetradec-1-en-3-one
SMILESCCCCCCCCCCCC(=O)/C=C\c1ccccc1
InChIInChI=1S/C20H30O/c1-2-3-4-5-6-7-8-9-13-16-20(21)18-17-19-14-11-10-12-15-19/h10-12,14-15,17-18H,2-9,13,16H2,1H3/b18-17-
InChIKeyOCOPJESYLDPMTN-ZCXUNETKSA-N
XLogP6.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.46
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

1-phenylundec-1-en-3-one
CID 3805572
(1E,3E)-1-phenylundeca-1,3-dien-5-one
CID 5373541
2,8-dioxo-10-phenyldec-9-enoic acid
CID 166068161
(E)-9-amino-1-phenylnon-1-en-3-one
CID 140555712
(Z)-1-(3-hydroxyphenyl)non-1-en-3-one
CID 92528645
4-benzylidene-1-phenylheptadec-1-en-3-one
CID 54442724
(E)-5-oxo-7-phenylhept-6-enoic acid
CID 15101995
5-oxo-7-phenylhept-6-enoic acid
CID 72745047
tris(4-benzylidene-1-phenylheptadec-1-en-3-one);bis(palladium)
CID 173000326
bis(4-benzylidene-1-phenylheptadec-1-en-3-one);palladium
CID 87961389
(E)-1-pyridin-3-yloct-1-en-3-one
CID 70109374
2-(1-phenylpent-1-en-3-ylidene)octanoic acid
CID 87704389

Frequently Asked Questions

What is the IUPAC name of (Z)-1-phenyltetradec-1-en-3-one?
The IUPAC name of (Z)-1-phenyltetradec-1-en-3-one (CID 98536945) is (Z)-1-phenyltetradec-1-en-3-one.
What is the SMILES notation for (Z)-1-phenyltetradec-1-en-3-one?
The canonical SMILES for (Z)-1-phenyltetradec-1-en-3-one is CCCCCCCCCCCC(=O)/C=C\c1ccccc1.
What is the InChIKey of (Z)-1-phenyltetradec-1-en-3-one?
The InChIKey is OCOPJESYLDPMTN-ZCXUNETKSA-N. The full InChI is InChI=1S/C20H30O/c1-2-3-4-5-6-7-8-9-13-16-20(21)18-17-19-14-11-10-12-15-19/h10-12,14-15,17-18H,2-9,13,16H2,1H3/b18-17-.
What are the key properties of (Z)-1-phenyltetradec-1-en-3-one?
(Z)-1-phenyltetradec-1-en-3-one has a molecular weight of 286.46 g/mol, XLogP of 6.19, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-phenyltetradec-1-en-3-one is sourced from PubChem (CID 98536945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).