(1R,2S,3R)-2-[(E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-2-enyl]-1,2,3-trimethylcyclohexan-1-ol

C21H42O2Si — CID 11783195

IUPAC(1R,2S,3R)-2-[(E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-2-enyl]-1,2,3-trimethylcyclohexan-1-ol
SMILESC/C(=C\C[C@@]1(C)[C@H](C)CCC[C@@]1(C)O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H42O2Si/c1-17(13-16-23-24(8,9)19(3,4)5)12-15-20(6)18(2)11-10-14-21(20,7)22/h12,18,22H,10-11,13-16H2,1-9H3/b17-12+/t18-,20+,21-/m1/s1
InChIKeyVCXRYWKNPNVIJD-FDSKAMDZSA-N
MW354.65 g/mol
LogP6.31
Rot. Bonds6

About (1R,2S,3R)-2-[(E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-2-enyl]-1,2,3-trimethylcyclohexan-1-ol

(1R,2S,3R)-2-[(E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-2-enyl]-1,2,3-trimethylcyclohexan-1-ol (PubChem CID 11783195) has the molecular formula C21H42O2Si and a molecular weight of 354.65 g/mol. Its IUPAC name is (1R,2S,3R)-2-[(E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-2-enyl]-1,2,3-trimethylcyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2S,3R)-2-[(E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-2-enyl]-1,2,3-trimethylcyclohexan-1-ol
PubChem CID11783195
Molecular FormulaC21H42O2Si
Molecular Weight354.65 g/mol
Exact Mass354.30
IUPAC Name(1R,2S,3R)-2-[(E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-2-enyl]-1,2,3-trimethylcyclohexan-1-ol
SMILESC/C(=C\C[C@@]1(C)[C@H](C)CCC[C@@]1(C)O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H42O2Si/c1-17(13-16-23-24(8,9)19(3,4)5)12-15-20(6)18(2)11-10-14-21(20,7)22/h12,18,22H,10-11,13-16H2,1-9H3/b17-12+/t18-,20+,21-/m1/s1
InChIKeyVCXRYWKNPNVIJD-FDSKAMDZSA-N
XLogP6.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.65
LogP ≤ 56.31
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 (1R,2S,3R)-2-[(E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-2-enyl]-1,2,3-trimethylcyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,3E,7E,11R)-4,8,15,15-tetramethyl-12-methylidenebicyclo[9.3.1]pentadeca-3,7-dien-1-ol
CID 101936080
cis-(1S,2S)-1,3,3-trimethyl-2-[(3E,7E,11E)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]cyclohexan-1-ol
CID 11112780
(1S,2R,3S,6R)-6-(hydroxymethyl)-1,3-dimethyl-2-(3-methylbut-2-enyl)-3-(4-methylpent-3-enyl)cyclohexan-1-ol
CID 14780861
(1S,3E,7E,11R)-4,8,15,15-tetramethyl-12-methylidenebicyclo[9.3.1]pentadeca-3,7-dien-1-ol
CID 162893225
(1R,4S,4aS,8aS)-4-(tert-Butyl-dimethylsilyl)oxy-1,4a-dimethyl-2,3,4,5,6,8a-hexahydronaphthalen-1-ol
CID 178308
(1R,3aR,4S,7aR)-1-[(E,2S)-6-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-3-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol
CID 58221243
(E)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylhex-4-en-3-ol
CID 10595092
3-[(1R,4aR,5S,6S)-1,5,6-trimethyl-5-[2-tri(propan-2-yl)silyloxyethyl]-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]propan-1-ol
CID 10717812
2-((1R,2R,3R)-2-((tert-butyldimethylsilyloxy)methyl)-2,3-dimethyl-6-(propan-2-ylidene)cyclohexyl)ethanol
CID 102518990
(Z)-6-[(3aS,7R,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl]-2-methylhex-5-en-2-ol
CID 134931506
[(5S,6R,9S,10R)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-yl]oxy-triethylsilane
CID 135019405
(E)-3-cyclohexyl-2,2-dimethyl-5-triethylsilylhept-5-en-3-ol
CID 135062831

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R)-2-[(E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-2-enyl]-1,2,3-trimethylcyclohexan-1-ol?
The IUPAC name of (1R,2S,3R)-2-[(E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-2-enyl]-1,2,3-trimethylcyclohexan-1-ol (CID 11783195) is (1R,2S,3R)-2-[(E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-2-enyl]-1,2,3-trimethylcyclohexan-1-ol.
What is the SMILES notation for (1R,2S,3R)-2-[(E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-2-enyl]-1,2,3-trimethylcyclohexan-1-ol?
The canonical SMILES for (1R,2S,3R)-2-[(E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-2-enyl]-1,2,3-trimethylcyclohexan-1-ol is C/C(=C\C[C@@]1(C)[C@H](C)CCC[C@@]1(C)O)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1R,2S,3R)-2-[(E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-2-enyl]-1,2,3-trimethylcyclohexan-1-ol?
The InChIKey is VCXRYWKNPNVIJD-FDSKAMDZSA-N. The full InChI is InChI=1S/C21H42O2Si/c1-17(13-16-23-24(8,9)19(3,4)5)12-15-20(6)18(2)11-10-14-21(20,7)22/h12,18,22H,10-11,13-16H2,1-9H3/b17-12+/t18-,20+,21-/m1/s1.
What are the key properties of (1R,2S,3R)-2-[(E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-2-enyl]-1,2,3-trimethylcyclohexan-1-ol?
(1R,2S,3R)-2-[(E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-2-enyl]-1,2,3-trimethylcyclohexan-1-ol has a molecular weight of 354.65 g/mol, XLogP of 6.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R)-2-[(E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-2-enyl]-1,2,3-trimethylcyclohexan-1-ol is sourced from PubChem (CID 11783195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).