(1R,5S)-2-methyl-5-(2-triethylsilyloxypropan-2-yl)cyclohex-2-en-1-ol

C16H32O2Si — CID 24755010

IUPAC(1R,5S)-2-methyl-5-(2-triethylsilyloxypropan-2-yl)cyclohex-2-en-1-ol
SMILESCC[Si](CC)(CC)OC(C)(C)[C@H]1CC=C(C)[C@H](O)C1
InChIInChI=1S/C16H32O2Si/c1-7-19(8-2,9-3)18-16(5,6)14-11-10-13(4)15(17)12-14/h10,14-15,17H,7-9,11-12H2,1-6H3/t14-,15+/m0/s1
InChIKeyLQTLQHYOUPIPER-LSDHHAIUSA-N
MW284.52 g/mol
LogP4.50
Rot. Bonds6

About (1R,5S)-2-methyl-5-(2-triethylsilyloxypropan-2-yl)cyclohex-2-en-1-ol

(1R,5S)-2-methyl-5-(2-triethylsilyloxypropan-2-yl)cyclohex-2-en-1-ol (PubChem CID 24755010) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is (1R,5S)-2-methyl-5-(2-triethylsilyloxypropan-2-yl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1R,5S)-2-methyl-5-(2-triethylsilyloxypropan-2-yl)cyclohex-2-en-1-ol
PubChem CID24755010
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name(1R,5S)-2-methyl-5-(2-triethylsilyloxypropan-2-yl)cyclohex-2-en-1-ol
SMILESCC[Si](CC)(CC)OC(C)(C)[C@H]1CC=C(C)[C@H](O)C1
InChIInChI=1S/C16H32O2Si/c1-7-19(8-2,9-3)18-16(5,6)14-11-10-13(4)15(17)12-14/h10,14-15,17H,7-9,11-12H2,1-6H3/t14-,15+/m0/s1
InChIKeyLQTLQHYOUPIPER-LSDHHAIUSA-N
XLogP4.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 54.50
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'}

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Related Compounds

Sobrerol
CID 91463
trans-Sobrerol
CID 854498
(1S-trans)-5-Hydroxy-alpha,alpha,4-trimethylcyclohex-3-ene-1-methanol
CID 854499
5-Isopropyl-2-methylcyclohex-2-ene-1,4-diol
CID 13919076
Sobrepin
CID 36089
cis-5-Hydroxy-alpha,alpha,4-trimethylcyclohex-3-ene-1-methanol
CID 854500
(3r,4r,6s)-3,6-Dihydroxy-1-menthene
CID 10374851
(3s,4s,6r)-3,6-Dihydroxy-1-menthene
CID 13919075
(3r,4s,6r)-p-Menth-1-ene-3,6-diol
CID 124355566
(5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-ol
CID 369311
(1S,2E,6E,10E)-14-(2-hydroxypropan-2-yl)-3,7,11-trimethylcyclotetradeca-2,6,10-trien-1-ol
CID 44575323
(1R,5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-ol
CID 854497

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-2-methyl-5-(2-triethylsilyloxypropan-2-yl)cyclohex-2-en-1-ol?
The IUPAC name of (1R,5S)-2-methyl-5-(2-triethylsilyloxypropan-2-yl)cyclohex-2-en-1-ol (CID 24755010) is (1R,5S)-2-methyl-5-(2-triethylsilyloxypropan-2-yl)cyclohex-2-en-1-ol.
What is the SMILES notation for (1R,5S)-2-methyl-5-(2-triethylsilyloxypropan-2-yl)cyclohex-2-en-1-ol?
The canonical SMILES for (1R,5S)-2-methyl-5-(2-triethylsilyloxypropan-2-yl)cyclohex-2-en-1-ol is CC[Si](CC)(CC)OC(C)(C)[C@H]1CC=C(C)[C@H](O)C1.
What is the InChIKey of (1R,5S)-2-methyl-5-(2-triethylsilyloxypropan-2-yl)cyclohex-2-en-1-ol?
The InChIKey is LQTLQHYOUPIPER-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-7-19(8-2,9-3)18-16(5,6)14-11-10-13(4)15(17)12-14/h10,14-15,17H,7-9,11-12H2,1-6H3/t14-,15+/m0/s1.
What are the key properties of (1R,5S)-2-methyl-5-(2-triethylsilyloxypropan-2-yl)cyclohex-2-en-1-ol?
(1R,5S)-2-methyl-5-(2-triethylsilyloxypropan-2-yl)cyclohex-2-en-1-ol has a molecular weight of 284.52 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-2-methyl-5-(2-triethylsilyloxypropan-2-yl)cyclohex-2-en-1-ol is sourced from PubChem (CID 24755010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).