cis-(1S,3R)-3-[tert-butylsilyloxy(diphenyl)methyl]cyclohexan-1-ol

C23H32O2Si — CID 173118007

IUPACcis-(1S,3R)-3-[tert-butylsilyloxy(diphenyl)methyl]cyclohexan-1-ol
SMILESCC(C)(C)[SiH2]OC(c1ccccc1)(c1ccccc1)[C@@H]1CCC[C@H](O)C1
InChIInChI=1S/C23H32O2Si/c1-22(2,3)26-25-23(18-11-6-4-7-12-18,19-13-8-5-9-14-19)20-15-10-16-21(24)17-20/h4-9,11-14,20-21,24H,10,15-17,26H2,1-3H3/t20-,21+/m1/s1
InChIKeyIZRBYDLRYXDPAS-RTWAWAEBSA-N
MW368.59 g/mol
LogP4.80
Rot. Bonds5

About cis-(1S,3R)-3-[tert-butylsilyloxy(diphenyl)methyl]cyclohexan-1-ol

cis-(1S,3R)-3-[tert-butylsilyloxy(diphenyl)methyl]cyclohexan-1-ol (PubChem CID 173118007) has the molecular formula C23H32O2Si and a molecular weight of 368.59 g/mol. Its IUPAC name is cis-(1S,3R)-3-[tert-butylsilyloxy(diphenyl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,3R)-3-[tert-butylsilyloxy(diphenyl)methyl]cyclohexan-1-ol
PubChem CID173118007
Molecular FormulaC23H32O2Si
Molecular Weight368.59 g/mol
Exact Mass368.22
IUPAC Namecis-(1S,3R)-3-[tert-butylsilyloxy(diphenyl)methyl]cyclohexan-1-ol
SMILESCC(C)(C)[SiH2]OC(c1ccccc1)(c1ccccc1)[C@@H]1CCC[C@H](O)C1
InChIInChI=1S/C23H32O2Si/c1-22(2,3)26-25-23(18-11-6-4-7-12-18,19-13-8-5-9-14-19)20-15-10-16-21(24)17-20/h4-9,11-14,20-21,24H,10,15-17,26H2,1-3H3/t20-,21+/m1/s1
InChIKeyIZRBYDLRYXDPAS-RTWAWAEBSA-N
XLogP4.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.59
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[tert-butylsilyloxy(diphenyl)methyl]cyclohexan-1-ol?
The IUPAC name of cis-(1S,3R)-3-[tert-butylsilyloxy(diphenyl)methyl]cyclohexan-1-ol (CID 173118007) is cis-(1S,3R)-3-[tert-butylsilyloxy(diphenyl)methyl]cyclohexan-1-ol.
What is the SMILES notation for cis-(1S,3R)-3-[tert-butylsilyloxy(diphenyl)methyl]cyclohexan-1-ol?
The canonical SMILES for cis-(1S,3R)-3-[tert-butylsilyloxy(diphenyl)methyl]cyclohexan-1-ol is CC(C)(C)[SiH2]OC(c1ccccc1)(c1ccccc1)[C@@H]1CCC[C@H](O)C1.
What is the InChIKey of cis-(1S,3R)-3-[tert-butylsilyloxy(diphenyl)methyl]cyclohexan-1-ol?
The InChIKey is IZRBYDLRYXDPAS-RTWAWAEBSA-N. The full InChI is InChI=1S/C23H32O2Si/c1-22(2,3)26-25-23(18-11-6-4-7-12-18,19-13-8-5-9-14-19)20-15-10-16-21(24)17-20/h4-9,11-14,20-21,24H,10,15-17,26H2,1-3H3/t20-,21+/m1/s1.
What are the key properties of cis-(1S,3R)-3-[tert-butylsilyloxy(diphenyl)methyl]cyclohexan-1-ol?
cis-(1S,3R)-3-[tert-butylsilyloxy(diphenyl)methyl]cyclohexan-1-ol has a molecular weight of 368.59 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[tert-butylsilyloxy(diphenyl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 173118007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).