(Z)-10-hydroxy-4,8-dimethyl-1-(4-methylphenyl)dec-4-en-1-one

C19H28O2 — CID 140821196

IUPAC(Z)-10-hydroxy-4,8-dimethyl-1-(4-methylphenyl)dec-4-en-1-one
SMILESC/C(=C/CCC(C)CCO)CCC(=O)c1ccc(C)cc1
InChIInChI=1S/C19H28O2/c1-15(5-4-6-16(2)13-14-20)9-12-19(21)18-10-7-17(3)8-11-18/h5,7-8,10-11,16,20H,4,6,9,12-14H2,1-3H3/b15-5-
InChIKeyUQESHNZILMEGRM-WCSRMQSCSA-N
MW288.43 g/mol
LogP4.70
Rot. Bonds9

About (Z)-10-hydroxy-4,8-dimethyl-1-(4-methylphenyl)dec-4-en-1-one

(Z)-10-hydroxy-4,8-dimethyl-1-(4-methylphenyl)dec-4-en-1-one (PubChem CID 140821196) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is (Z)-10-hydroxy-4,8-dimethyl-1-(4-methylphenyl)dec-4-en-1-one.

Molecular Properties

Compound Name(Z)-10-hydroxy-4,8-dimethyl-1-(4-methylphenyl)dec-4-en-1-one
PubChem CID140821196
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name(Z)-10-hydroxy-4,8-dimethyl-1-(4-methylphenyl)dec-4-en-1-one
SMILESC/C(=C/CCC(C)CCO)CCC(=O)c1ccc(C)cc1
InChIInChI=1S/C19H28O2/c1-15(5-4-6-16(2)13-14-20)9-12-19(21)18-10-7-17(3)8-11-18/h5,7-8,10-11,16,20H,4,6,9,12-14H2,1-3H3/b15-5-
InChIKeyUQESHNZILMEGRM-WCSRMQSCSA-N
XLogP4.70
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-10-hydroxy-1-(4-methoxyphenyl)-4,8-dimethyldec-4-en-1-one
CID 140821197
3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91-tricosamethyldononaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90-docosaen-1-ol
CID 139698175
(6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38E,42E)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-6,10,14,18,22,26,30,34,38,42,46-undecaen-1-ol
CID 91820232
3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87-docosamethyloctaoctaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86-henicosaen-1-ol
CID 139698181
2,6,10-trimethyl-1-(4-methylphenyl)undec-9-en-1-one
CID 139438486
(2R)-2-methyl-5-(4-methylphenyl)-5-oxopentanal
CID 102367867
(Z,3S)-3,7-dimethylnon-6-en-1-ol
CID 156871638
(Z)-2,6-dimethyloct-2-ene-1,8-diol;methane
CID 175717951
(6E)-3,7-dimethyldodeca-6,11-dien-1-ol
CID 21160167
(5Z)-11-hydroxy-5,9-dimethylundeca-1,5-dien-3-one
CID 162767085
methane;4-(4-methylphenyl)-4-oxobutanal
CID 143644548
1-[(E)-6,10-dimethyl-9-methylideneundec-5-en-2-yl]-4-methylbenzene
CID 101359840

Frequently Asked Questions

What is the IUPAC name of (Z)-10-hydroxy-4,8-dimethyl-1-(4-methylphenyl)dec-4-en-1-one?
The IUPAC name of (Z)-10-hydroxy-4,8-dimethyl-1-(4-methylphenyl)dec-4-en-1-one (CID 140821196) is (Z)-10-hydroxy-4,8-dimethyl-1-(4-methylphenyl)dec-4-en-1-one.
What is the SMILES notation for (Z)-10-hydroxy-4,8-dimethyl-1-(4-methylphenyl)dec-4-en-1-one?
The canonical SMILES for (Z)-10-hydroxy-4,8-dimethyl-1-(4-methylphenyl)dec-4-en-1-one is C/C(=C/CCC(C)CCO)CCC(=O)c1ccc(C)cc1.
What is the InChIKey of (Z)-10-hydroxy-4,8-dimethyl-1-(4-methylphenyl)dec-4-en-1-one?
The InChIKey is UQESHNZILMEGRM-WCSRMQSCSA-N. The full InChI is InChI=1S/C19H28O2/c1-15(5-4-6-16(2)13-14-20)9-12-19(21)18-10-7-17(3)8-11-18/h5,7-8,10-11,16,20H,4,6,9,12-14H2,1-3H3/b15-5-.
What are the key properties of (Z)-10-hydroxy-4,8-dimethyl-1-(4-methylphenyl)dec-4-en-1-one?
(Z)-10-hydroxy-4,8-dimethyl-1-(4-methylphenyl)dec-4-en-1-one has a molecular weight of 288.43 g/mol, XLogP of 4.70, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-10-hydroxy-4,8-dimethyl-1-(4-methylphenyl)dec-4-en-1-one is sourced from PubChem (CID 140821196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).