(1S,2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2,2-diphenylethenyl)cyclobutan-1-ol

C35H38O2Si — CID 10369362

IUPAC(1S,2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2,2-diphenylethenyl)cyclobutan-1-ol
SMILESCC(C)(C)[Si](OC[C@H]1C[C@H](O)[C@@H]1C=C(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H38O2Si/c1-35(2,3)38(30-20-12-6-13-21-30,31-22-14-7-15-23-31)37-26-29-24-34(36)33(29)25-32(27-16-8-4-9-17-27)28-18-10-5-11-19-28/h4-23,25,29,33-34,36H,24,26H2,1-3H3/t29-,33-,34+/m1/s1
InChIKeySAPIJPRNHLFCRW-SJZCYFJVSA-N
MW518.77 g/mol
LogP6.69
Rot. Bonds8

About (1S,2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2,2-diphenylethenyl)cyclobutan-1-ol

(1S,2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2,2-diphenylethenyl)cyclobutan-1-ol (PubChem CID 10369362) has the molecular formula C35H38O2Si and a molecular weight of 518.77 g/mol. Its IUPAC name is (1S,2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2,2-diphenylethenyl)cyclobutan-1-ol.

Molecular Properties

Compound Name(1S,2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2,2-diphenylethenyl)cyclobutan-1-ol
PubChem CID10369362
Molecular FormulaC35H38O2Si
Molecular Weight518.77 g/mol
Exact Mass518.26
IUPAC Name(1S,2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2,2-diphenylethenyl)cyclobutan-1-ol
SMILESCC(C)(C)[Si](OC[C@H]1C[C@H](O)[C@@H]1C=C(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H38O2Si/c1-35(2,3)38(30-20-12-6-13-21-30,31-22-14-7-15-23-31)37-26-29-24-34(36)33(29)25-32(27-16-8-4-9-17-27)28-18-10-5-11-19-28/h4-23,25,29,33-34,36H,24,26H2,1-3H3/t29-,33-,34+/m1/s1
InChIKeySAPIJPRNHLFCRW-SJZCYFJVSA-N
XLogP6.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.77
LogP ≤ 56.69
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

(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 174251063
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 74035630
(2S,3S,4aR,6S,7S,8aS,9aR,10aR)-6,7-bis[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene-2,3-diol
CID 100959653
cis-(1R,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde;cis-(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde
CID 162119958
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1,2-diol
CID 71138268
2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]acetic acid
CID 146157316
(1S,2S,3R,5S,6R)-3,6-bis[[tert-butyl(diphenyl)silyl]oxymethyl]bicyclo[3.1.0]hexan-2-ol
CID 101191463
3-[[tert-butyl(diphenyl)silyl]oxymethyl]thian-4-ol
CID 122207177
trans-methyl (2R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxycyclopentane-1-carboxylate
CID 140825988
[(3S,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-yl]methanol
CID 178119164
cis-ethyl (1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carboxylate
CID 131735737
tert-butyl-[(2-methylcyclopentyl)methoxy]-diphenylsilane
CID 123161962

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2,2-diphenylethenyl)cyclobutan-1-ol?
The IUPAC name of (1S,2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2,2-diphenylethenyl)cyclobutan-1-ol (CID 10369362) is (1S,2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2,2-diphenylethenyl)cyclobutan-1-ol.
What is the SMILES notation for (1S,2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2,2-diphenylethenyl)cyclobutan-1-ol?
The canonical SMILES for (1S,2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2,2-diphenylethenyl)cyclobutan-1-ol is CC(C)(C)[Si](OC[C@H]1C[C@H](O)[C@@H]1C=C(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1S,2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2,2-diphenylethenyl)cyclobutan-1-ol?
The InChIKey is SAPIJPRNHLFCRW-SJZCYFJVSA-N. The full InChI is InChI=1S/C35H38O2Si/c1-35(2,3)38(30-20-12-6-13-21-30,31-22-14-7-15-23-31)37-26-29-24-34(36)33(29)25-32(27-16-8-4-9-17-27)28-18-10-5-11-19-28/h4-23,25,29,33-34,36H,24,26H2,1-3H3/t29-,33-,34+/m1/s1.
What are the key properties of (1S,2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2,2-diphenylethenyl)cyclobutan-1-ol?
(1S,2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2,2-diphenylethenyl)cyclobutan-1-ol has a molecular weight of 518.77 g/mol, XLogP of 6.69, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2,2-diphenylethenyl)cyclobutan-1-ol is sourced from PubChem (CID 10369362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).