4-(3-methylcyclopentyl)-1-triphenylsilylbutan-1-ol

C28H34OSi — CID 85267968

IUPAC4-(3-methylcyclopentyl)-1-triphenylsilylbutan-1-ol
SMILESCC1CCC(CCCC(O)[Si](c2ccccc2)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C28H34OSi/c1-23-20-21-24(22-23)12-11-19-28(29)30(25-13-5-2-6-14-25,26-15-7-3-8-16-26)27-17-9-4-10-18-27/h2-10,13-18,23-24,28-29H,11-12,19-22H2,1H3
InChIKeyRZAXABJRUKOFJU-UHFFFAOYSA-N
MW414.67 g/mol
LogP4.66
Rot. Bonds8

About 4-(3-methylcyclopentyl)-1-triphenylsilylbutan-1-ol

4-(3-methylcyclopentyl)-1-triphenylsilylbutan-1-ol (PubChem CID 85267968) has the molecular formula C28H34OSi and a molecular weight of 414.67 g/mol. Its IUPAC name is 4-(3-methylcyclopentyl)-1-triphenylsilylbutan-1-ol.

Molecular Properties

Compound Name4-(3-methylcyclopentyl)-1-triphenylsilylbutan-1-ol
PubChem CID85267968
Molecular FormulaC28H34OSi
Molecular Weight414.67 g/mol
Exact Mass414.24
IUPAC Name4-(3-methylcyclopentyl)-1-triphenylsilylbutan-1-ol
SMILESCC1CCC(CCCC(O)[Si](c2ccccc2)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C28H34OSi/c1-23-20-21-24(22-23)12-11-19-28(29)30(25-13-5-2-6-14-25,26-15-7-3-8-16-26)27-17-9-4-10-18-27/h2-10,13-18,23-24,28-29H,11-12,19-22H2,1H3
InChIKeyRZAXABJRUKOFJU-UHFFFAOYSA-N
XLogP4.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.67
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylcyclopentyl)-1-triphenylsilylbutan-1-ol?
The IUPAC name of 4-(3-methylcyclopentyl)-1-triphenylsilylbutan-1-ol (CID 85267968) is 4-(3-methylcyclopentyl)-1-triphenylsilylbutan-1-ol.
What is the SMILES notation for 4-(3-methylcyclopentyl)-1-triphenylsilylbutan-1-ol?
The canonical SMILES for 4-(3-methylcyclopentyl)-1-triphenylsilylbutan-1-ol is CC1CCC(CCCC(O)[Si](c2ccccc2)(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 4-(3-methylcyclopentyl)-1-triphenylsilylbutan-1-ol?
The InChIKey is RZAXABJRUKOFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34OSi/c1-23-20-21-24(22-23)12-11-19-28(29)30(25-13-5-2-6-14-25,26-15-7-3-8-16-26)27-17-9-4-10-18-27/h2-10,13-18,23-24,28-29H,11-12,19-22H2,1H3.
What are the key properties of 4-(3-methylcyclopentyl)-1-triphenylsilylbutan-1-ol?
4-(3-methylcyclopentyl)-1-triphenylsilylbutan-1-ol has a molecular weight of 414.67 g/mol, XLogP of 4.66, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylcyclopentyl)-1-triphenylsilylbutan-1-ol is sourced from PubChem (CID 85267968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).