[(1R,3R)-3-[(2S,5S)-5-[tert-butyl(diphenyl)silyl]oxy-6-methylheptan-2-yl]-2,2,3-trimethylcyclopentyl]methanol

C33H52O2Si — CID 88877030

IUPAC[(1R,3R)-3-[(2S,5S)-5-[tert-butyl(diphenyl)silyl]oxy-6-methylheptan-2-yl]-2,2,3-trimethylcyclopentyl]methanol
SMILESCC(C)[C@H](CC[C@H](C)[C@@]1(C)CC[C@@H](CO)C1(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C33H52O2Si/c1-25(2)30(21-20-26(3)33(9)23-22-27(24-34)32(33,7)8)35-36(31(4,5)6,28-16-12-10-13-17-28)29-18-14-11-15-19-29/h10-19,25-27,30,34H,20-24H2,1-9H3/t26-,27-,30-,33+/m0/s1
InChIKeyXJLUOPKQYXQALG-AXKMEIGOSA-N
MW508.86 g/mol
LogP7.44
Rot. Bonds10

About [(1R,3R)-3-[(2S,5S)-5-[tert-butyl(diphenyl)silyl]oxy-6-methylheptan-2-yl]-2,2,3-trimethylcyclopentyl]methanol

[(1R,3R)-3-[(2S,5S)-5-[tert-butyl(diphenyl)silyl]oxy-6-methylheptan-2-yl]-2,2,3-trimethylcyclopentyl]methanol (PubChem CID 88877030) has the molecular formula C33H52O2Si and a molecular weight of 508.86 g/mol. Its IUPAC name is [(1R,3R)-3-[(2S,5S)-5-[tert-butyl(diphenyl)silyl]oxy-6-methylheptan-2-yl]-2,2,3-trimethylcyclopentyl]methanol.

Molecular Properties

Compound Name[(1R,3R)-3-[(2S,5S)-5-[tert-butyl(diphenyl)silyl]oxy-6-methylheptan-2-yl]-2,2,3-trimethylcyclopentyl]methanol
PubChem CID88877030
Molecular FormulaC33H52O2Si
Molecular Weight508.86 g/mol
Exact Mass508.37
IUPAC Name[(1R,3R)-3-[(2S,5S)-5-[tert-butyl(diphenyl)silyl]oxy-6-methylheptan-2-yl]-2,2,3-trimethylcyclopentyl]methanol
SMILESCC(C)[C@H](CC[C@H](C)[C@@]1(C)CC[C@@H](CO)C1(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C33H52O2Si/c1-25(2)30(21-20-26(3)33(9)23-22-27(24-34)32(33,7)8)35-36(31(4,5)6,28-16-12-10-13-17-28)29-18-14-11-15-19-29/h10-19,25-27,30,34H,20-24H2,1-9H3/t26-,27-,30-,33+/m0/s1
InChIKeyXJLUOPKQYXQALG-AXKMEIGOSA-N
XLogP7.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.86
LogP ≤ 57.44
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

[(1R,3R)-3-[(2S,5R)-5-[tert-butyl(diphenyl)silyl]oxy-6-methylheptan-2-yl]-2,2,3-trimethylcyclopentyl]methanol
CID 59264430
tert-butyl-[[3-[5-[tert-butyl(diphenyl)silyl]-6-methylheptan-2-yl]-2,2,3-trimethylcyclopentyl]methoxy]-diphenylsilane
CID 68580534
(3S)-3-[tert-butyl(diphenyl)silyl]oxypentane-1,4-diol
CID 15409689
[(1R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,2-trimethylcyclopentyl]methanol
CID 15443826
(E,4S)-4-[(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,2-trimethylcyclopentyl]pent-2-enal
CID 11634036
2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropylidene]propane-1,3-diol
CID 102368876
(3R)-3-[tert-butyl(diphenyl)silyl]oxyoctan-2-ol
CID 58876341
tert-butyl-pentan-3-yloxy-diphenylsilane
CID 58776136
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
6-[1-[tert-butyl(diphenyl)silyl]oxyethyl]oxan-3-ol
CID 140747666
(3S,6S)-6-[(1R,3R)-3-(1-diphenylsilyloxy-2,2-dimethylpropyl)-1,2,2-trimethylcyclopentyl]-2-methylheptan-3-ol
CID 173095127

Frequently Asked Questions

What is the IUPAC name of [(1R,3R)-3-[(2S,5S)-5-[tert-butyl(diphenyl)silyl]oxy-6-methylheptan-2-yl]-2,2,3-trimethylcyclopentyl]methanol?
The IUPAC name of [(1R,3R)-3-[(2S,5S)-5-[tert-butyl(diphenyl)silyl]oxy-6-methylheptan-2-yl]-2,2,3-trimethylcyclopentyl]methanol (CID 88877030) is [(1R,3R)-3-[(2S,5S)-5-[tert-butyl(diphenyl)silyl]oxy-6-methylheptan-2-yl]-2,2,3-trimethylcyclopentyl]methanol.
What is the SMILES notation for [(1R,3R)-3-[(2S,5S)-5-[tert-butyl(diphenyl)silyl]oxy-6-methylheptan-2-yl]-2,2,3-trimethylcyclopentyl]methanol?
The canonical SMILES for [(1R,3R)-3-[(2S,5S)-5-[tert-butyl(diphenyl)silyl]oxy-6-methylheptan-2-yl]-2,2,3-trimethylcyclopentyl]methanol is CC(C)[C@H](CC[C@H](C)[C@@]1(C)CC[C@@H](CO)C1(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of [(1R,3R)-3-[(2S,5S)-5-[tert-butyl(diphenyl)silyl]oxy-6-methylheptan-2-yl]-2,2,3-trimethylcyclopentyl]methanol?
The InChIKey is XJLUOPKQYXQALG-AXKMEIGOSA-N. The full InChI is InChI=1S/C33H52O2Si/c1-25(2)30(21-20-26(3)33(9)23-22-27(24-34)32(33,7)8)35-36(31(4,5)6,28-16-12-10-13-17-28)29-18-14-11-15-19-29/h10-19,25-27,30,34H,20-24H2,1-9H3/t26-,27-,30-,33+/m0/s1.
What are the key properties of [(1R,3R)-3-[(2S,5S)-5-[tert-butyl(diphenyl)silyl]oxy-6-methylheptan-2-yl]-2,2,3-trimethylcyclopentyl]methanol?
[(1R,3R)-3-[(2S,5S)-5-[tert-butyl(diphenyl)silyl]oxy-6-methylheptan-2-yl]-2,2,3-trimethylcyclopentyl]methanol has a molecular weight of 508.86 g/mol, XLogP of 7.44, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R)-3-[(2S,5S)-5-[tert-butyl(diphenyl)silyl]oxy-6-methylheptan-2-yl]-2,2,3-trimethylcyclopentyl]methanol is sourced from PubChem (CID 88877030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).