[(1R,2E,3S)-3-(hydroxymethyl)-3-methyl-2-(trimethylsilylmethylidene)cyclopentyl]methanol

C12H24O2Si — CID 134964905

IUPAC[(1R,2E,3S)-3-(hydroxymethyl)-3-methyl-2-(trimethylsilylmethylidene)cyclopentyl]methanol
SMILESC[C@]1(CO)CC[C@@H](CO)/C1=C\[Si](C)(C)C
InChIInChI=1S/C12H24O2Si/c1-12(9-14)6-5-10(7-13)11(12)8-15(2,3)4/h8,10,13-14H,5-7,9H2,1-4H3/b11-8+/t10-,12+/m0/s1
InChIKeyCKKRHBFLTABMLY-MLHLWSAZSA-N
MW228.41 g/mol
LogP2.19
Rot. Bonds3

About [(1R,2E,3S)-3-(hydroxymethyl)-3-methyl-2-(trimethylsilylmethylidene)cyclopentyl]methanol

[(1R,2E,3S)-3-(hydroxymethyl)-3-methyl-2-(trimethylsilylmethylidene)cyclopentyl]methanol (PubChem CID 134964905) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is [(1R,2E,3S)-3-(hydroxymethyl)-3-methyl-2-(trimethylsilylmethylidene)cyclopentyl]methanol.

Molecular Properties

Compound Name[(1R,2E,3S)-3-(hydroxymethyl)-3-methyl-2-(trimethylsilylmethylidene)cyclopentyl]methanol
PubChem CID134964905
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Name[(1R,2E,3S)-3-(hydroxymethyl)-3-methyl-2-(trimethylsilylmethylidene)cyclopentyl]methanol
SMILESC[C@]1(CO)CC[C@@H](CO)/C1=C\[Si](C)(C)C
InChIInChI=1S/C12H24O2Si/c1-12(9-14)6-5-10(7-13)11(12)8-15(2,3)4/h8,10,13-14H,5-7,9H2,1-4H3/b11-8+/t10-,12+/m0/s1
InChIKeyCKKRHBFLTABMLY-MLHLWSAZSA-N
XLogP2.19
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1,3-Dimethyl-2-methylene-cyclopentyl)-methanol
CID 572858
trans-(1R,4R,5E)-4-(hydroxymethyl)-2,2-dimethyl-5-(trimethylsilylmethylidene)cyclopentan-1-ol
CID 101332586
[(4Z)-1-(hydroxymethyl)-3-(tributylstannylmethyl)-4-(trimethylsilylmethylidene)cyclopentyl]methanol
CID 164686162
cis-(1R,5R)-5-[(E)-2-[tert-butyl(dimethyl)silyl]oxyethenyl]-2,2-dimethyl-4-methylidenecyclopentan-1-ol
CID 101087341
[(1R,3R)-1-methyl-2-methylidene-3-(2-trimethylsilyloxypropan-2-yl)cyclopentyl]methanol
CID 101787908
[(1S,3R)-1-methyl-2-methylidene-3-(2-trimethylsilyloxypropan-2-yl)cyclopentyl]methanol
CID 101787909
[(1S,3R)-3-(hydroxymethyl)-3-methyl-2-methylidenecyclopentyl]methanol
CID 131002832

Frequently Asked Questions

What is the IUPAC name of [(1R,2E,3S)-3-(hydroxymethyl)-3-methyl-2-(trimethylsilylmethylidene)cyclopentyl]methanol?
The IUPAC name of [(1R,2E,3S)-3-(hydroxymethyl)-3-methyl-2-(trimethylsilylmethylidene)cyclopentyl]methanol (CID 134964905) is [(1R,2E,3S)-3-(hydroxymethyl)-3-methyl-2-(trimethylsilylmethylidene)cyclopentyl]methanol.
What is the SMILES notation for [(1R,2E,3S)-3-(hydroxymethyl)-3-methyl-2-(trimethylsilylmethylidene)cyclopentyl]methanol?
The canonical SMILES for [(1R,2E,3S)-3-(hydroxymethyl)-3-methyl-2-(trimethylsilylmethylidene)cyclopentyl]methanol is C[C@]1(CO)CC[C@@H](CO)/C1=C\[Si](C)(C)C.
What is the InChIKey of [(1R,2E,3S)-3-(hydroxymethyl)-3-methyl-2-(trimethylsilylmethylidene)cyclopentyl]methanol?
The InChIKey is CKKRHBFLTABMLY-MLHLWSAZSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-12(9-14)6-5-10(7-13)11(12)8-15(2,3)4/h8,10,13-14H,5-7,9H2,1-4H3/b11-8+/t10-,12+/m0/s1.
What are the key properties of [(1R,2E,3S)-3-(hydroxymethyl)-3-methyl-2-(trimethylsilylmethylidene)cyclopentyl]methanol?
[(1R,2E,3S)-3-(hydroxymethyl)-3-methyl-2-(trimethylsilylmethylidene)cyclopentyl]methanol has a molecular weight of 228.41 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2E,3S)-3-(hydroxymethyl)-3-methyl-2-(trimethylsilylmethylidene)cyclopentyl]methanol is sourced from PubChem (CID 134964905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).