1-cyclopentyl-4-tri(propan-2-yl)silyloxybutan-1-ol

C18H38O2Si — CID 58212165

IUPAC1-cyclopentyl-4-tri(propan-2-yl)silyloxybutan-1-ol
SMILESCC(C)[Si](OCCCC(O)C1CCCC1)(C(C)C)C(C)C
InChIInChI=1S/C18H38O2Si/c1-14(2)21(15(3)4,16(5)6)20-13-9-12-18(19)17-10-7-8-11-17/h14-19H,7-13H2,1-6H3
InChIKeyQXDLFVDUBWHNHK-UHFFFAOYSA-N
MW314.59 g/mol
LogP5.51
Rot. Bonds9

About 1-cyclopentyl-4-tri(propan-2-yl)silyloxybutan-1-ol

1-cyclopentyl-4-tri(propan-2-yl)silyloxybutan-1-ol (PubChem CID 58212165) has the molecular formula C18H38O2Si and a molecular weight of 314.59 g/mol. Its IUPAC name is 1-cyclopentyl-4-tri(propan-2-yl)silyloxybutan-1-ol.

Molecular Properties

Compound Name1-cyclopentyl-4-tri(propan-2-yl)silyloxybutan-1-ol
PubChem CID58212165
Molecular FormulaC18H38O2Si
Molecular Weight314.59 g/mol
Exact Mass314.26
IUPAC Name1-cyclopentyl-4-tri(propan-2-yl)silyloxybutan-1-ol
SMILESCC(C)[Si](OCCCC(O)C1CCCC1)(C(C)C)C(C)C
InChIInChI=1S/C18H38O2Si/c1-14(2)21(15(3)4,16(5)6)20-13-9-12-18(19)17-10-7-8-11-17/h14-19H,7-13H2,1-6H3
InChIKeyQXDLFVDUBWHNHK-UHFFFAOYSA-N
XLogP5.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.59
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-tri(propan-2-yl)silyloxybutan-1-ol?
The IUPAC name of 1-cyclopentyl-4-tri(propan-2-yl)silyloxybutan-1-ol (CID 58212165) is 1-cyclopentyl-4-tri(propan-2-yl)silyloxybutan-1-ol.
What is the SMILES notation for 1-cyclopentyl-4-tri(propan-2-yl)silyloxybutan-1-ol?
The canonical SMILES for 1-cyclopentyl-4-tri(propan-2-yl)silyloxybutan-1-ol is CC(C)[Si](OCCCC(O)C1CCCC1)(C(C)C)C(C)C.
What is the InChIKey of 1-cyclopentyl-4-tri(propan-2-yl)silyloxybutan-1-ol?
The InChIKey is QXDLFVDUBWHNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O2Si/c1-14(2)21(15(3)4,16(5)6)20-13-9-12-18(19)17-10-7-8-11-17/h14-19H,7-13H2,1-6H3.
What are the key properties of 1-cyclopentyl-4-tri(propan-2-yl)silyloxybutan-1-ol?
1-cyclopentyl-4-tri(propan-2-yl)silyloxybutan-1-ol has a molecular weight of 314.59 g/mol, XLogP of 5.51, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-tri(propan-2-yl)silyloxybutan-1-ol is sourced from PubChem (CID 58212165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).