1-[tert-butyl(dimethyl)silyl]-1-chloro-4-methylpentan-3-ol

C12H27ClOSi — CID 15183222

IUPAC1-[tert-butyl(dimethyl)silyl]-1-chloro-4-methylpentan-3-ol
SMILESCC(C)C(O)CC(Cl)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H27ClOSi/c1-9(2)10(14)8-11(13)15(6,7)12(3,4)5/h9-11,14H,8H2,1-7H3
InChIKeyLXINPWFUJOVJNQ-UHFFFAOYSA-N
MW250.89 g/mol
LogP4.05
Rot. Bonds4

About 1-[tert-butyl(dimethyl)silyl]-1-chloro-4-methylpentan-3-ol

1-[tert-butyl(dimethyl)silyl]-1-chloro-4-methylpentan-3-ol (PubChem CID 15183222) has the molecular formula C12H27ClOSi and a molecular weight of 250.89 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]-1-chloro-4-methylpentan-3-ol.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]-1-chloro-4-methylpentan-3-ol
PubChem CID15183222
Molecular FormulaC12H27ClOSi
Molecular Weight250.89 g/mol
Exact Mass250.15
IUPAC Name1-[tert-butyl(dimethyl)silyl]-1-chloro-4-methylpentan-3-ol
SMILESCC(C)C(O)CC(Cl)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H27ClOSi/c1-9(2)10(14)8-11(13)15(6,7)12(3,4)5/h9-11,14H,8H2,1-7H3
InChIKeyLXINPWFUJOVJNQ-UHFFFAOYSA-N
XLogP4.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.89
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]-1-chloro-4-methylpentan-3-ol?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]-1-chloro-4-methylpentan-3-ol (CID 15183222) is 1-[tert-butyl(dimethyl)silyl]-1-chloro-4-methylpentan-3-ol.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]-1-chloro-4-methylpentan-3-ol?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]-1-chloro-4-methylpentan-3-ol is CC(C)C(O)CC(Cl)[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]-1-chloro-4-methylpentan-3-ol?
The InChIKey is LXINPWFUJOVJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27ClOSi/c1-9(2)10(14)8-11(13)15(6,7)12(3,4)5/h9-11,14H,8H2,1-7H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]-1-chloro-4-methylpentan-3-ol?
1-[tert-butyl(dimethyl)silyl]-1-chloro-4-methylpentan-3-ol has a molecular weight of 250.89 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]-1-chloro-4-methylpentan-3-ol is sourced from PubChem (CID 15183222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).