3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(3,4-dichlorophenyl)butan-2-ol

C17H28Cl2O2Si — CID 19073644

IUPAC3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(3,4-dichlorophenyl)butan-2-ol
SMILESCC(O)C(CO[Si](C)(C)C(C)(C)C)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H28Cl2O2Si/c1-12(20)14(11-21-22(5,6)17(2,3)4)9-13-7-8-15(18)16(19)10-13/h7-8,10,12,14,20H,9,11H2,1-6H3
InChIKeyGGTZVCMWVXVKIY-UHFFFAOYSA-N
MW363.40 g/mol
LogP5.55
Rot. Bonds6

About 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(3,4-dichlorophenyl)butan-2-ol

3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(3,4-dichlorophenyl)butan-2-ol (PubChem CID 19073644) has the molecular formula C17H28Cl2O2Si and a molecular weight of 363.40 g/mol. Its IUPAC name is 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(3,4-dichlorophenyl)butan-2-ol.

Molecular Properties

Compound Name3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(3,4-dichlorophenyl)butan-2-ol
PubChem CID19073644
Molecular FormulaC17H28Cl2O2Si
Molecular Weight363.40 g/mol
Exact Mass362.12
IUPAC Name3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(3,4-dichlorophenyl)butan-2-ol
SMILESCC(O)C(CO[Si](C)(C)C(C)(C)C)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H28Cl2O2Si/c1-12(20)14(11-21-22(5,6)17(2,3)4)9-13-7-8-15(18)16(19)10-13/h7-8,10,12,14,20H,9,11H2,1-6H3
InChIKeyGGTZVCMWVXVKIY-UHFFFAOYSA-N
XLogP5.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.40
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(3,4-dichlorophenyl)butan-2-ol?
The IUPAC name of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(3,4-dichlorophenyl)butan-2-ol (CID 19073644) is 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(3,4-dichlorophenyl)butan-2-ol.
What is the SMILES notation for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(3,4-dichlorophenyl)butan-2-ol?
The canonical SMILES for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(3,4-dichlorophenyl)butan-2-ol is CC(O)C(CO[Si](C)(C)C(C)(C)C)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(3,4-dichlorophenyl)butan-2-ol?
The InChIKey is GGTZVCMWVXVKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28Cl2O2Si/c1-12(20)14(11-21-22(5,6)17(2,3)4)9-13-7-8-15(18)16(19)10-13/h7-8,10,12,14,20H,9,11H2,1-6H3.
What are the key properties of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(3,4-dichlorophenyl)butan-2-ol?
3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(3,4-dichlorophenyl)butan-2-ol has a molecular weight of 363.40 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(3,4-dichlorophenyl)butan-2-ol is sourced from PubChem (CID 19073644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).