12-[tert-butyl(dimethyl)silyl]oxydodecan-2-ol

C18H40O2Si — CID 90302960

IUPAC12-[tert-butyl(dimethyl)silyl]oxydodecan-2-ol
SMILESCC(O)CCCCCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H40O2Si/c1-17(19)15-13-11-9-7-8-10-12-14-16-20-21(5,6)18(2,3)4/h17,19H,7-16H2,1-6H3
InChIKeyZXTCZLHKEGEHHL-UHFFFAOYSA-N
MW316.60 g/mol
LogP5.90
Rot. Bonds12

About 12-[tert-butyl(dimethyl)silyl]oxydodecan-2-ol

12-[tert-butyl(dimethyl)silyl]oxydodecan-2-ol (PubChem CID 90302960) has the molecular formula C18H40O2Si and a molecular weight of 316.60 g/mol. Its IUPAC name is 12-[tert-butyl(dimethyl)silyl]oxydodecan-2-ol.

Molecular Properties

Compound Name12-[tert-butyl(dimethyl)silyl]oxydodecan-2-ol
PubChem CID90302960
Molecular FormulaC18H40O2Si
Molecular Weight316.60 g/mol
Exact Mass316.28
IUPAC Name12-[tert-butyl(dimethyl)silyl]oxydodecan-2-ol
SMILESCC(O)CCCCCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H40O2Si/c1-17(19)15-13-11-9-7-8-10-12-14-16-20-21(5,6)18(2,3)4/h17,19H,7-16H2,1-6H3
InChIKeyZXTCZLHKEGEHHL-UHFFFAOYSA-N
XLogP5.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.60
LogP ≤ 55.90
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 12-[tert-butyl(dimethyl)silyl]oxydodecan-2-ol?
The IUPAC name of 12-[tert-butyl(dimethyl)silyl]oxydodecan-2-ol (CID 90302960) is 12-[tert-butyl(dimethyl)silyl]oxydodecan-2-ol.
What is the SMILES notation for 12-[tert-butyl(dimethyl)silyl]oxydodecan-2-ol?
The canonical SMILES for 12-[tert-butyl(dimethyl)silyl]oxydodecan-2-ol is CC(O)CCCCCCCCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 12-[tert-butyl(dimethyl)silyl]oxydodecan-2-ol?
The InChIKey is ZXTCZLHKEGEHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40O2Si/c1-17(19)15-13-11-9-7-8-10-12-14-16-20-21(5,6)18(2,3)4/h17,19H,7-16H2,1-6H3.
What are the key properties of 12-[tert-butyl(dimethyl)silyl]oxydodecan-2-ol?
12-[tert-butyl(dimethyl)silyl]oxydodecan-2-ol has a molecular weight of 316.60 g/mol, XLogP of 5.90, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[tert-butyl(dimethyl)silyl]oxydodecan-2-ol is sourced from PubChem (CID 90302960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).