1,1-dicyclopropyl-2-methyl-1-silylbutan-2-ol

C11H22OSi — CID 173014165

IUPAC1,1-dicyclopropyl-2-methyl-1-silylbutan-2-ol
SMILESCCC(C)(O)C([SiH3])(C1CC1)C1CC1
InChIInChI=1S/C11H22OSi/c1-3-10(2,12)11(13,8-4-5-8)9-6-7-9/h8-9,12H,3-7H2,1-2,13H3
InChIKeyPBYMCAVGSBQQCI-UHFFFAOYSA-N
MW198.38 g/mol
LogP1.49
Rot. Bonds4

About 1,1-dicyclopropyl-2-methyl-1-silylbutan-2-ol

1,1-dicyclopropyl-2-methyl-1-silylbutan-2-ol (PubChem CID 173014165) has the molecular formula C11H22OSi and a molecular weight of 198.38 g/mol. Its IUPAC name is 1,1-dicyclopropyl-2-methyl-1-silylbutan-2-ol.

Molecular Properties

Compound Name1,1-dicyclopropyl-2-methyl-1-silylbutan-2-ol
PubChem CID173014165
Molecular FormulaC11H22OSi
Molecular Weight198.38 g/mol
Exact Mass198.14
IUPAC Name1,1-dicyclopropyl-2-methyl-1-silylbutan-2-ol
SMILESCCC(C)(O)C([SiH3])(C1CC1)C1CC1
InChIInChI=1S/C11H22OSi/c1-3-10(2,12)11(13,8-4-5-8)9-6-7-9/h8-9,12H,3-7H2,1-2,13H3
InChIKeyPBYMCAVGSBQQCI-UHFFFAOYSA-N
XLogP1.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.38
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 1,1-dicyclopropyl-2-methyl-1-silylbutan-2-ol?
The IUPAC name of 1,1-dicyclopropyl-2-methyl-1-silylbutan-2-ol (CID 173014165) is 1,1-dicyclopropyl-2-methyl-1-silylbutan-2-ol.
What is the SMILES notation for 1,1-dicyclopropyl-2-methyl-1-silylbutan-2-ol?
The canonical SMILES for 1,1-dicyclopropyl-2-methyl-1-silylbutan-2-ol is CCC(C)(O)C([SiH3])(C1CC1)C1CC1.
What is the InChIKey of 1,1-dicyclopropyl-2-methyl-1-silylbutan-2-ol?
The InChIKey is PBYMCAVGSBQQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22OSi/c1-3-10(2,12)11(13,8-4-5-8)9-6-7-9/h8-9,12H,3-7H2,1-2,13H3.
What are the key properties of 1,1-dicyclopropyl-2-methyl-1-silylbutan-2-ol?
1,1-dicyclopropyl-2-methyl-1-silylbutan-2-ol has a molecular weight of 198.38 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dicyclopropyl-2-methyl-1-silylbutan-2-ol is sourced from PubChem (CID 173014165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).