cis-(1R,2R)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutan-2-yl]cyclohexan-1-ol

C23H32O2Si — CID 70803199

IUPACcis-(1R,2R)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutan-2-yl]cyclohexan-1-ol
SMILESCC([C@H]1CCCC[C@H]1O)C(C)(C)[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H32O2Si/c1-18(21-16-10-11-17-22(21)24)23(2,3)26(25,19-12-6-4-7-13-19)20-14-8-5-9-15-20/h4-9,12-15,18,21-22,24-25H,10-11,16-17H2,1-3H3/t18?,21-,22-/m1/s1
InChIKeyYCLUHYHHMKEIFO-IPKCRJEZSA-N
MW368.59 g/mol
LogP3.71
Rot. Bonds5

About cis-(1R,2R)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutan-2-yl]cyclohexan-1-ol

cis-(1R,2R)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutan-2-yl]cyclohexan-1-ol (PubChem CID 70803199) has the molecular formula C23H32O2Si and a molecular weight of 368.59 g/mol. Its IUPAC name is cis-(1R,2R)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutan-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,2R)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutan-2-yl]cyclohexan-1-ol
PubChem CID70803199
Molecular FormulaC23H32O2Si
Molecular Weight368.59 g/mol
Exact Mass368.22
IUPAC Namecis-(1R,2R)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutan-2-yl]cyclohexan-1-ol
SMILESCC([C@H]1CCCC[C@H]1O)C(C)(C)[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H32O2Si/c1-18(21-16-10-11-17-22(21)24)23(2,3)26(25,19-12-6-4-7-13-19)20-14-8-5-9-15-20/h4-9,12-15,18,21-22,24-25H,10-11,16-17H2,1-3H3/t18?,21-,22-/m1/s1
InChIKeyYCLUHYHHMKEIFO-IPKCRJEZSA-N
XLogP3.71
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.59
LogP ≤ 53.71
H-Bond Donors ≤ 52
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-(1R,2R)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutan-2-yl]cyclohexan-1-ol?
The IUPAC name of cis-(1R,2R)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutan-2-yl]cyclohexan-1-ol (CID 70803199) is cis-(1R,2R)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutan-2-yl]cyclohexan-1-ol.
What is the SMILES notation for cis-(1R,2R)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutan-2-yl]cyclohexan-1-ol?
The canonical SMILES for cis-(1R,2R)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutan-2-yl]cyclohexan-1-ol is CC([C@H]1CCCC[C@H]1O)C(C)(C)[Si](O)(c1ccccc1)c1ccccc1.
What is the InChIKey of cis-(1R,2R)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutan-2-yl]cyclohexan-1-ol?
The InChIKey is YCLUHYHHMKEIFO-IPKCRJEZSA-N. The full InChI is InChI=1S/C23H32O2Si/c1-18(21-16-10-11-17-22(21)24)23(2,3)26(25,19-12-6-4-7-13-19)20-14-8-5-9-15-20/h4-9,12-15,18,21-22,24-25H,10-11,16-17H2,1-3H3/t18?,21-,22-/m1/s1.
What are the key properties of cis-(1R,2R)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutan-2-yl]cyclohexan-1-ol?
cis-(1R,2R)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutan-2-yl]cyclohexan-1-ol has a molecular weight of 368.59 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutan-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 70803199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).