[2,2,4-trimethyl-3-[(Z)-2-(1-methylcyclohexa-2,5-dien-1-yl)ethenyl]cyclohex-3-en-1-yl]methanol

C19H28O — CID 10612258

IUPAC[2,2,4-trimethyl-3-[(Z)-2-(1-methylcyclohexa-2,5-dien-1-yl)ethenyl]cyclohex-3-en-1-yl]methanol
SMILESCC1=C(/C=C\C2(C)C=CCC=C2)C(C)(C)C(CO)CC1
InChIInChI=1S/C19H28O/c1-15-8-9-16(14-20)18(2,3)17(15)10-13-19(4)11-6-5-7-12-19/h6-7,10-13,16,20H,5,8-9,14H2,1-4H3/b13-10-
InChIKeySUZRUNYHZKQYIA-RAXLEYEMSA-N
MW272.43 g/mol
LogP4.81
Rot. Bonds3

About [2,2,4-trimethyl-3-[(Z)-2-(1-methylcyclohexa-2,5-dien-1-yl)ethenyl]cyclohex-3-en-1-yl]methanol

[2,2,4-trimethyl-3-[(Z)-2-(1-methylcyclohexa-2,5-dien-1-yl)ethenyl]cyclohex-3-en-1-yl]methanol (PubChem CID 10612258) has the molecular formula C19H28O and a molecular weight of 272.43 g/mol. Its IUPAC name is [2,2,4-trimethyl-3-[(Z)-2-(1-methylcyclohexa-2,5-dien-1-yl)ethenyl]cyclohex-3-en-1-yl]methanol.

Molecular Properties

Compound Name[2,2,4-trimethyl-3-[(Z)-2-(1-methylcyclohexa-2,5-dien-1-yl)ethenyl]cyclohex-3-en-1-yl]methanol
PubChem CID10612258
Molecular FormulaC19H28O
Molecular Weight272.43 g/mol
Exact Mass272.21
IUPAC Name[2,2,4-trimethyl-3-[(Z)-2-(1-methylcyclohexa-2,5-dien-1-yl)ethenyl]cyclohex-3-en-1-yl]methanol
SMILESCC1=C(/C=C\C2(C)C=CCC=C2)C(C)(C)C(CO)CC1
InChIInChI=1S/C19H28O/c1-15-8-9-16(14-20)18(2,3)17(15)10-13-19(4)11-6-5-7-12-19/h6-7,10-13,16,20H,5,8-9,14H2,1-4H3/b13-10-
InChIKeySUZRUNYHZKQYIA-RAXLEYEMSA-N
XLogP4.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-[3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[5-[(E)-4-hydroxy-3-methylbut-2-enyl]-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,2,4-trimethylcyclohex-3-en-1-yl]-2-methylbut-2-en-1-ol
CID 87443475
3-(hydroxymethyl)-2,2-dimethylcyclopentan-1-one
CID 10997135
2-[2-[2,2,4-trimethyl-3-[3,7,12,16-tetramethyl-18-[2,6,6-trimethyl-5-(3-methylbut-2-enyl)cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl]ethylidene]propane-1,3-diol
CID 162942955
(E)-1-(5-hydroxy-2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-one
CID 70560844
(E)-4-(5-iodo-2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
CID 146186410
3-[(1E,3E,5E,7E,11E,13E,15E,17E)-18-(5-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,11,13,15,17-octaenyl]-2,2,4-trimethylcyclohex-3-en-1-ol
CID 88673494
2,6-dimethyl-5-[3,7,11,16,20-pentamethyl-22-[2,6,6-trimethyl-5-(3-methylbut-2-enyl)cyclohexen-1-yl]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl]hept-2-ene-1,6-diol
CID 162982576
2-(2,2,4-trimethylcyclohex-3-en-1-yl)ethanol
CID 20547238
(1R)-3-(hydroxymethyl)-2,2,4-trimethylcyclohex-3-en-1-ol
CID 130719581
(2E,4E,6E,8E)-9-(5-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid
CID 6506621
(E)-4-(2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl)but-3-en-2-one
CID 155711820
(2E,5E,8E)-9-(5-ethoxy-2,6,6-trimethylcyclohexen-1-yl)-3,7-dimethylnona-2,5,8-trien-1-ol
CID 21425189

Frequently Asked Questions

What is the IUPAC name of [2,2,4-trimethyl-3-[(Z)-2-(1-methylcyclohexa-2,5-dien-1-yl)ethenyl]cyclohex-3-en-1-yl]methanol?
The IUPAC name of [2,2,4-trimethyl-3-[(Z)-2-(1-methylcyclohexa-2,5-dien-1-yl)ethenyl]cyclohex-3-en-1-yl]methanol (CID 10612258) is [2,2,4-trimethyl-3-[(Z)-2-(1-methylcyclohexa-2,5-dien-1-yl)ethenyl]cyclohex-3-en-1-yl]methanol.
What is the SMILES notation for [2,2,4-trimethyl-3-[(Z)-2-(1-methylcyclohexa-2,5-dien-1-yl)ethenyl]cyclohex-3-en-1-yl]methanol?
The canonical SMILES for [2,2,4-trimethyl-3-[(Z)-2-(1-methylcyclohexa-2,5-dien-1-yl)ethenyl]cyclohex-3-en-1-yl]methanol is CC1=C(/C=C\C2(C)C=CCC=C2)C(C)(C)C(CO)CC1.
What is the InChIKey of [2,2,4-trimethyl-3-[(Z)-2-(1-methylcyclohexa-2,5-dien-1-yl)ethenyl]cyclohex-3-en-1-yl]methanol?
The InChIKey is SUZRUNYHZKQYIA-RAXLEYEMSA-N. The full InChI is InChI=1S/C19H28O/c1-15-8-9-16(14-20)18(2,3)17(15)10-13-19(4)11-6-5-7-12-19/h6-7,10-13,16,20H,5,8-9,14H2,1-4H3/b13-10-.
What are the key properties of [2,2,4-trimethyl-3-[(Z)-2-(1-methylcyclohexa-2,5-dien-1-yl)ethenyl]cyclohex-3-en-1-yl]methanol?
[2,2,4-trimethyl-3-[(Z)-2-(1-methylcyclohexa-2,5-dien-1-yl)ethenyl]cyclohex-3-en-1-yl]methanol has a molecular weight of 272.43 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2,4-trimethyl-3-[(Z)-2-(1-methylcyclohexa-2,5-dien-1-yl)ethenyl]cyclohex-3-en-1-yl]methanol is sourced from PubChem (CID 10612258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).