[(1R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,2-trimethylcyclopentyl]methanol

C26H38O2Si — CID 15443826

IUPAC[(1R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,2-trimethylcyclopentyl]methanol
SMILESCC1(C)[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC[C@@]1(C)CO
InChIInChI=1S/C26H38O2Si/c1-24(2,3)29(22-13-9-7-10-14-22,23-15-11-8-12-16-23)28-19-21-17-18-26(6,20-27)25(21,4)5/h7-16,21,27H,17-20H2,1-6H3/t21-,26+/m1/s1
InChIKeyXNDVDQNCQNGUSK-RLWLMLJZSA-N
MW410.67 g/mol
LogP5.00
Rot. Bonds6

About [(1R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,2-trimethylcyclopentyl]methanol

[(1R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,2-trimethylcyclopentyl]methanol (PubChem CID 15443826) has the molecular formula C26H38O2Si and a molecular weight of 410.67 g/mol. Its IUPAC name is [(1R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,2-trimethylcyclopentyl]methanol.

Molecular Properties

Compound Name[(1R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,2-trimethylcyclopentyl]methanol
PubChem CID15443826
Molecular FormulaC26H38O2Si
Molecular Weight410.67 g/mol
Exact Mass410.26
IUPAC Name[(1R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,2-trimethylcyclopentyl]methanol
SMILESCC1(C)[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC[C@@]1(C)CO
InChIInChI=1S/C26H38O2Si/c1-24(2,3)29(22-13-9-7-10-14-22,23-15-11-8-12-16-23)28-19-21-17-18-26(6,20-27)25(21,4)5/h7-16,21,27H,17-20H2,1-6H3/t21-,26+/m1/s1
InChIKeyXNDVDQNCQNGUSK-RLWLMLJZSA-N
XLogP5.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.67
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E,4S)-4-[(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,2-trimethylcyclopentyl]pent-2-enal
CID 11634036
[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyloxolan-2-yl]methanol
CID 16736190
tert-butyl-[[3-[5-[tert-butyl(diphenyl)silyl]-6-methylheptan-2-yl]-2,2,3-trimethylcyclopentyl]methoxy]-diphenylsilane
CID 68580534
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 174251063
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 74035630
[(1R,2S)-2-(bromomethyl)-2-phenylcyclopropyl]methoxy-tert-butyl-diphenylsilane
CID 67980790
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylcyclohexan-1-ol
CID 66761813
[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]methanol
CID 10981523
[(8R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
CID 167381124
tert-butyl-[(2,6-dimethoxycyclohexa-2,5-dien-1-yl)methoxy]-diphenylsilane
CID 603410
[(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-difluorocyclopropyl]methanol
CID 58682742
[(1R,2R)-2-(bromomethyl)cyclopentyl]methoxy-tert-butyl-diphenylsilane
CID 171429782

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,2-trimethylcyclopentyl]methanol?
The IUPAC name of [(1R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,2-trimethylcyclopentyl]methanol (CID 15443826) is [(1R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,2-trimethylcyclopentyl]methanol.
What is the SMILES notation for [(1R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,2-trimethylcyclopentyl]methanol?
The canonical SMILES for [(1R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,2-trimethylcyclopentyl]methanol is CC1(C)[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC[C@@]1(C)CO.
What is the InChIKey of [(1R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,2-trimethylcyclopentyl]methanol?
The InChIKey is XNDVDQNCQNGUSK-RLWLMLJZSA-N. The full InChI is InChI=1S/C26H38O2Si/c1-24(2,3)29(22-13-9-7-10-14-22,23-15-11-8-12-16-23)28-19-21-17-18-26(6,20-27)25(21,4)5/h7-16,21,27H,17-20H2,1-6H3/t21-,26+/m1/s1.
What are the key properties of [(1R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,2-trimethylcyclopentyl]methanol?
[(1R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,2-trimethylcyclopentyl]methanol has a molecular weight of 410.67 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,2-trimethylcyclopentyl]methanol is sourced from PubChem (CID 15443826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).