4-amino-1-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]cyclohexan-1-ol

C23H33NO2Si — CID 70899331

IUPAC4-amino-1-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]cyclohexan-1-ol
SMILESCC(C)(CCC1(O)CCC(N)CC1)[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H33NO2Si/c1-22(2,17-18-23(25)15-13-19(24)14-16-23)27(26,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,19,25-26H,13-18,24H2,1-2H3
InChIKeyUQLLVHQOJBBNFF-UHFFFAOYSA-N
MW383.61 g/mol
LogP2.93
Rot. Bonds6

About 4-amino-1-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]cyclohexan-1-ol

4-amino-1-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]cyclohexan-1-ol (PubChem CID 70899331) has the molecular formula C23H33NO2Si and a molecular weight of 383.61 g/mol. Its IUPAC name is 4-amino-1-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-amino-1-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]cyclohexan-1-ol
PubChem CID70899331
Molecular FormulaC23H33NO2Si
Molecular Weight383.61 g/mol
Exact Mass383.23
IUPAC Name4-amino-1-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]cyclohexan-1-ol
SMILESCC(C)(CCC1(O)CCC(N)CC1)[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H33NO2Si/c1-22(2,17-18-23(25)15-13-19(24)14-16-23)27(26,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,19,25-26H,13-18,24H2,1-2H3
InChIKeyUQLLVHQOJBBNFF-UHFFFAOYSA-N
XLogP2.93
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.61
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 4-amino-1-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]cyclohexan-1-ol?
The IUPAC name of 4-amino-1-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]cyclohexan-1-ol (CID 70899331) is 4-amino-1-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]cyclohexan-1-ol.
What is the SMILES notation for 4-amino-1-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]cyclohexan-1-ol?
The canonical SMILES for 4-amino-1-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]cyclohexan-1-ol is CC(C)(CCC1(O)CCC(N)CC1)[Si](O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-amino-1-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]cyclohexan-1-ol?
The InChIKey is UQLLVHQOJBBNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO2Si/c1-22(2,17-18-23(25)15-13-19(24)14-16-23)27(26,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,19,25-26H,13-18,24H2,1-2H3.
What are the key properties of 4-amino-1-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]cyclohexan-1-ol?
4-amino-1-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]cyclohexan-1-ol has a molecular weight of 383.61 g/mol, XLogP of 2.93, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]cyclohexan-1-ol is sourced from PubChem (CID 70899331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).