4-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutan-1-ol

C11H24O2Si — CID 11218203

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutan-1-ol
SMILESC=C(CO)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24O2Si/c1-10(9-12)7-8-13-14(5,6)11(2,3)4/h12H,1,7-9H2,2-6H3
InChIKeyPKASBHOFVIDKKA-UHFFFAOYSA-N
MW216.40 g/mol
LogP2.95
Rot. Bonds5

About 4-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutan-1-ol

4-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutan-1-ol (PubChem CID 11218203) has the molecular formula C11H24O2Si and a molecular weight of 216.40 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutan-1-ol.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutan-1-ol
PubChem CID11218203
Molecular FormulaC11H24O2Si
Molecular Weight216.40 g/mol
Exact Mass216.15
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutan-1-ol
SMILESC=C(CO)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24O2Si/c1-10(9-12)7-8-13-14(5,6)11(2,3)4/h12H,1,7-9H2,2-6H3
InChIKeyPKASBHOFVIDKKA-UHFFFAOYSA-N
XLogP2.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutan-1-ol?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutan-1-ol (CID 11218203) is 4-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutan-1-ol.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutan-1-ol?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutan-1-ol is C=C(CO)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutan-1-ol?
The InChIKey is PKASBHOFVIDKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2Si/c1-10(9-12)7-8-13-14(5,6)11(2,3)4/h12H,1,7-9H2,2-6H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutan-1-ol?
4-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutan-1-ol has a molecular weight of 216.40 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebutan-1-ol is sourced from PubChem (CID 11218203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).