(6Z)-6-benzylidene-7-hydroxydecan-5-one

C17H24O2 — CID 11219174

IUPAC(6Z)-6-benzylidene-7-hydroxydecan-5-one
SMILESCCCCC(=O)/C(=C\c1ccccc1)C(O)CCC
InChIInChI=1S/C17H24O2/c1-3-5-12-17(19)15(16(18)9-4-2)13-14-10-7-6-8-11-14/h6-8,10-11,13,16,18H,3-5,9,12H2,1-2H3/b15-13-
InChIKeyZIKQNVMOGWAKLA-SQFISAMPSA-N
MW260.38 g/mol
LogP3.99
Rot. Bonds8

About (6Z)-6-benzylidene-7-hydroxydecan-5-one

(6Z)-6-benzylidene-7-hydroxydecan-5-one (PubChem CID 11219174) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is (6Z)-6-benzylidene-7-hydroxydecan-5-one.

Molecular Properties

Compound Name(6Z)-6-benzylidene-7-hydroxydecan-5-one
PubChem CID11219174
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name(6Z)-6-benzylidene-7-hydroxydecan-5-one
SMILESCCCCC(=O)/C(=C\c1ccccc1)C(O)CCC
InChIInChI=1S/C17H24O2/c1-3-5-12-17(19)15(16(18)9-4-2)13-14-10-7-6-8-11-14/h6-8,10-11,13,16,18H,3-5,9,12H2,1-2H3/b15-13-
InChIKeyZIKQNVMOGWAKLA-SQFISAMPSA-N
XLogP3.99
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2Z)-2-benzylidene-3-hydroxyhexanoate
CID 10422125
(2Z)-2-benzylidenehexanoate
CID 21157937
(2E)-2-benzylidenehexanoic acid
CID 5354388
(Z)-2-nitro-1-phenylhept-1-en-3-one
CID 88769843
(2E)-2-benzylideneheptanoic acid
CID 14318164
(E)-2-methyl-1-phenylnon-1-en-3-one
CID 102243478
2-methyl-1-phenyloct-1-en-4-one
CID 71411118
(3Z,4R)-3-benzylidene-2-methyloctan-4-ol
CID 177483438
2-benzylideneicosanamide
CID 167436455
[(E)-1-phenylhex-1-en-2-yl]benzene
CID 11791205
(2Z)-2-benzylidene-5-methylhexanoic acid
CID 70273739
(E)-2-(4-nitrophenyl)-1-phenylhept-1-en-3-one
CID 138971441

Frequently Asked Questions

What is the IUPAC name of (6Z)-6-benzylidene-7-hydroxydecan-5-one?
The IUPAC name of (6Z)-6-benzylidene-7-hydroxydecan-5-one (CID 11219174) is (6Z)-6-benzylidene-7-hydroxydecan-5-one.
What is the SMILES notation for (6Z)-6-benzylidene-7-hydroxydecan-5-one?
The canonical SMILES for (6Z)-6-benzylidene-7-hydroxydecan-5-one is CCCCC(=O)/C(=C\c1ccccc1)C(O)CCC.
What is the InChIKey of (6Z)-6-benzylidene-7-hydroxydecan-5-one?
The InChIKey is ZIKQNVMOGWAKLA-SQFISAMPSA-N. The full InChI is InChI=1S/C17H24O2/c1-3-5-12-17(19)15(16(18)9-4-2)13-14-10-7-6-8-11-14/h6-8,10-11,13,16,18H,3-5,9,12H2,1-2H3/b15-13-.
What are the key properties of (6Z)-6-benzylidene-7-hydroxydecan-5-one?
(6Z)-6-benzylidene-7-hydroxydecan-5-one has a molecular weight of 260.38 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-benzylidene-7-hydroxydecan-5-one is sourced from PubChem (CID 11219174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).