(3R)-3-methyl-1-(2,6,6-trimethyl-4-trimethylsilyloxycyclohexen-1-yl)penta-1,4-dien-3-ol

C18H32O2Si — CID 54163447

IUPAC(3R)-3-methyl-1-(2,6,6-trimethyl-4-trimethylsilyloxycyclohexen-1-yl)penta-1,4-dien-3-ol
SMILESC=C[C@@](C)(O)C=CC1=C(C)CC(O[Si](C)(C)C)CC1(C)C
InChIInChI=1S/C18H32O2Si/c1-9-18(5,19)11-10-16-14(2)12-15(13-17(16,3)4)20-21(6,7)8/h9-11,15,19H,1,12-13H2,2-8H3/t15?,18-/m1/s1
InChIKeyOQADGWGIOLMORC-KPMSDPLLSA-N
MW308.54 g/mol
LogP4.84
Rot. Bonds5

About (3R)-3-methyl-1-(2,6,6-trimethyl-4-trimethylsilyloxycyclohexen-1-yl)penta-1,4-dien-3-ol

(3R)-3-methyl-1-(2,6,6-trimethyl-4-trimethylsilyloxycyclohexen-1-yl)penta-1,4-dien-3-ol (PubChem CID 54163447) has the molecular formula C18H32O2Si and a molecular weight of 308.54 g/mol. Its IUPAC name is (3R)-3-methyl-1-(2,6,6-trimethyl-4-trimethylsilyloxycyclohexen-1-yl)penta-1,4-dien-3-ol.

Molecular Properties

Compound Name(3R)-3-methyl-1-(2,6,6-trimethyl-4-trimethylsilyloxycyclohexen-1-yl)penta-1,4-dien-3-ol
PubChem CID54163447
Molecular FormulaC18H32O2Si
Molecular Weight308.54 g/mol
Exact Mass308.22
IUPAC Name(3R)-3-methyl-1-(2,6,6-trimethyl-4-trimethylsilyloxycyclohexen-1-yl)penta-1,4-dien-3-ol
SMILESC=C[C@@](C)(O)C=CC1=C(C)CC(O[Si](C)(C)C)CC1(C)C
InChIInChI=1S/C18H32O2Si/c1-9-18(5,19)11-10-16-14(2)12-15(13-17(16,3)4)20-21(6,7)8/h9-11,15,19H,1,12-13H2,2-8H3/t15?,18-/m1/s1
InChIKeyOQADGWGIOLMORC-KPMSDPLLSA-N
XLogP4.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.54
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3R)-3-methyl-1-(2,6,6-trimethyl-4-trimethylsilyloxycyclohexen-1-yl)penta-1,4-dien-3-ol with MolForge

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Launch Full Analysis

Related Compounds

beta-Citraurol
CID 23426325
b-Citraurinol
CID 131751847
12'-Apo-b-carotene-3,12'-diol
CID 131751907
(1r)-4-((1e,3e,5e,7z,9e,11z,13e,15e)-17-Hydroxy-3,7,12,16-Tetramethylheptadeca-1,3,5,7,9,11,13,15-Octaen-1-Yl)-3,5,5-Trimethylcyclohex-3-En-1-Ol
CID 5287502
(1R)-4-[(1E,3E,5Z,7Z,9Z,11Z,13E,15E)-17-hydroxy-3,7,12,16-tetramethylheptadeca-1,3,5,7,9,11,13,15-octaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol
CID 168300429
Galloxanthin
CID 13940463
4-(13-Hydroxy-3,7,12-trimethyltrideca-1,3,5,7,9,11-hexaenyl)-3,5,5-trimethylcyclohex-3-en-1-ol
CID 74956390
(3R)-3-hydroxy-12'-apo-beta-carotenol
CID 44224026
4-[(1E)-3-hydroxy-3-methylpenta-1,4-dienyl]-3,5,5-trimethylcyclohex-3-en-1-ol
CID 19751857
(1R)-4-[(1E)-3-hydroxy-3-methylpenta-1,4-dienyl]-3,5,5-trimethylcyclohex-3-en-1-ol
CID 10911557
(1R)-4-[(1E,3E,5E,7Z,11Z,13E,15E)-17-hydroxy-3,7,12,16-tetramethylheptadeca-1,3,5,7,11,13,15-heptaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol
CID 657148
3-[(1E,3E,7E)-9-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylnona-1,3,7-trien-5-ynyl]-2,4,4-trimethylcyclohex-2-en-1-ol
CID 15489655

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1-(2,6,6-trimethyl-4-trimethylsilyloxycyclohexen-1-yl)penta-1,4-dien-3-ol?
The IUPAC name of (3R)-3-methyl-1-(2,6,6-trimethyl-4-trimethylsilyloxycyclohexen-1-yl)penta-1,4-dien-3-ol (CID 54163447) is (3R)-3-methyl-1-(2,6,6-trimethyl-4-trimethylsilyloxycyclohexen-1-yl)penta-1,4-dien-3-ol.
What is the SMILES notation for (3R)-3-methyl-1-(2,6,6-trimethyl-4-trimethylsilyloxycyclohexen-1-yl)penta-1,4-dien-3-ol?
The canonical SMILES for (3R)-3-methyl-1-(2,6,6-trimethyl-4-trimethylsilyloxycyclohexen-1-yl)penta-1,4-dien-3-ol is C=C[C@@](C)(O)C=CC1=C(C)CC(O[Si](C)(C)C)CC1(C)C.
What is the InChIKey of (3R)-3-methyl-1-(2,6,6-trimethyl-4-trimethylsilyloxycyclohexen-1-yl)penta-1,4-dien-3-ol?
The InChIKey is OQADGWGIOLMORC-KPMSDPLLSA-N. The full InChI is InChI=1S/C18H32O2Si/c1-9-18(5,19)11-10-16-14(2)12-15(13-17(16,3)4)20-21(6,7)8/h9-11,15,19H,1,12-13H2,2-8H3/t15?,18-/m1/s1.
What are the key properties of (3R)-3-methyl-1-(2,6,6-trimethyl-4-trimethylsilyloxycyclohexen-1-yl)penta-1,4-dien-3-ol?
(3R)-3-methyl-1-(2,6,6-trimethyl-4-trimethylsilyloxycyclohexen-1-yl)penta-1,4-dien-3-ol has a molecular weight of 308.54 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-1-(2,6,6-trimethyl-4-trimethylsilyloxycyclohexen-1-yl)penta-1,4-dien-3-ol is sourced from PubChem (CID 54163447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).