(1E,4E)-3-methyl-1-(4-methylphenyl)-5-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-ol

C22H30O — CID 100973619

IUPAC(1E,4E)-3-methyl-1-(4-methylphenyl)-5-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-ol
SMILESCC1=C(/C=C/C(C)(O)/C=C/c2ccc(C)cc2)C(C)(C)CCC1
InChIInChI=1S/C22H30O/c1-17-8-10-19(11-9-17)12-15-22(5,23)16-13-20-18(2)7-6-14-21(20,3)4/h8-13,15-16,23H,6-7,14H2,1-5H3/b15-12+,16-13+
InChIKeyFMMKLHOTVPTCFR-WSGPNKEYSA-N
MW310.48 g/mol
LogP5.84
Rot. Bonds4

About (1E,4E)-3-methyl-1-(4-methylphenyl)-5-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-ol

(1E,4E)-3-methyl-1-(4-methylphenyl)-5-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-ol (PubChem CID 100973619) has the molecular formula C22H30O and a molecular weight of 310.48 g/mol. Its IUPAC name is (1E,4E)-3-methyl-1-(4-methylphenyl)-5-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-ol.

Molecular Properties

Compound Name(1E,4E)-3-methyl-1-(4-methylphenyl)-5-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-ol
PubChem CID100973619
Molecular FormulaC22H30O
Molecular Weight310.48 g/mol
Exact Mass310.23
IUPAC Name(1E,4E)-3-methyl-1-(4-methylphenyl)-5-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-ol
SMILESCC1=C(/C=C/C(C)(O)/C=C/c2ccc(C)cc2)C(C)(C)CCC1
InChIInChI=1S/C22H30O/c1-17-8-10-19(11-9-17)12-15-22(5,23)16-13-20-18(2)7-6-14-21(20,3)4/h8-13,15-16,23H,6-7,14H2,1-5H3/b15-12+,16-13+
InChIKeyFMMKLHOTVPTCFR-WSGPNKEYSA-N
XLogP5.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.48
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-ol
CID 90964728
(1E,3R)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-ol
CID 86310428
(E)-2-pyridin-4-yl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ol
CID 162398954
(1E,4E)-1-(4-phenylphenyl)-5-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-one
CID 44591382
(Z)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-4-yn-3-ol
CID 10632627
(E,3R)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-4-yn-3-ol
CID 7312693
(1E,4E)-1-(4-fluorophenyl)-5-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-one
CID 14396291
(1E,4E)-1-[4-(trifluoromethyl)phenyl]-5-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-one
CID 44591341
(Z,3R)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)hex-1-en-5-yn-3-ol
CID 98565733
3-methyl-5-phenyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-4-yn-3-ol
CID 85152034
(4-methylphenyl) 6-[2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]naphthalene-2-carboxylate
CID 54215235
4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
CID 77238031

Frequently Asked Questions

What is the IUPAC name of (1E,4E)-3-methyl-1-(4-methylphenyl)-5-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-ol?
The IUPAC name of (1E,4E)-3-methyl-1-(4-methylphenyl)-5-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-ol (CID 100973619) is (1E,4E)-3-methyl-1-(4-methylphenyl)-5-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-ol.
What is the SMILES notation for (1E,4E)-3-methyl-1-(4-methylphenyl)-5-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-ol?
The canonical SMILES for (1E,4E)-3-methyl-1-(4-methylphenyl)-5-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-ol is CC1=C(/C=C/C(C)(O)/C=C/c2ccc(C)cc2)C(C)(C)CCC1.
What is the InChIKey of (1E,4E)-3-methyl-1-(4-methylphenyl)-5-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-ol?
The InChIKey is FMMKLHOTVPTCFR-WSGPNKEYSA-N. The full InChI is InChI=1S/C22H30O/c1-17-8-10-19(11-9-17)12-15-22(5,23)16-13-20-18(2)7-6-14-21(20,3)4/h8-13,15-16,23H,6-7,14H2,1-5H3/b15-12+,16-13+.
What are the key properties of (1E,4E)-3-methyl-1-(4-methylphenyl)-5-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-ol?
(1E,4E)-3-methyl-1-(4-methylphenyl)-5-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-ol has a molecular weight of 310.48 g/mol, XLogP of 5.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4E)-3-methyl-1-(4-methylphenyl)-5-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-ol is sourced from PubChem (CID 100973619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).