1-methoxy-1,1-bis(trimethylsilyl)undecan-3-ol

C18H42O2Si2 — CID 14227093

IUPAC1-methoxy-1,1-bis(trimethylsilyl)undecan-3-ol
SMILESCCCCCCCCC(O)CC(OC)([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C18H42O2Si2/c1-9-10-11-12-13-14-15-17(19)16-18(20-2,21(3,4)5)22(6,7)8/h17,19H,9-16H2,1-8H3
InChIKeyHJDKDOKQXINYKW-UHFFFAOYSA-N
MW346.70 g/mol
LogP5.63
Rot. Bonds12

About 1-methoxy-1,1-bis(trimethylsilyl)undecan-3-ol

1-methoxy-1,1-bis(trimethylsilyl)undecan-3-ol (PubChem CID 14227093) has the molecular formula C18H42O2Si2 and a molecular weight of 346.70 g/mol. Its IUPAC name is 1-methoxy-1,1-bis(trimethylsilyl)undecan-3-ol.

Molecular Properties

Compound Name1-methoxy-1,1-bis(trimethylsilyl)undecan-3-ol
PubChem CID14227093
Molecular FormulaC18H42O2Si2
Molecular Weight346.70 g/mol
Exact Mass346.27
IUPAC Name1-methoxy-1,1-bis(trimethylsilyl)undecan-3-ol
SMILESCCCCCCCCC(O)CC(OC)([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C18H42O2Si2/c1-9-10-11-12-13-14-15-17(19)16-18(20-2,21(3,4)5)22(6,7)8/h17,19H,9-16H2,1-8H3
InChIKeyHJDKDOKQXINYKW-UHFFFAOYSA-N
XLogP5.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.70
LogP ≤ 55.63
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 1-methoxy-1,1-bis(trimethylsilyl)undecan-3-ol?
The IUPAC name of 1-methoxy-1,1-bis(trimethylsilyl)undecan-3-ol (CID 14227093) is 1-methoxy-1,1-bis(trimethylsilyl)undecan-3-ol.
What is the SMILES notation for 1-methoxy-1,1-bis(trimethylsilyl)undecan-3-ol?
The canonical SMILES for 1-methoxy-1,1-bis(trimethylsilyl)undecan-3-ol is CCCCCCCCC(O)CC(OC)([Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of 1-methoxy-1,1-bis(trimethylsilyl)undecan-3-ol?
The InChIKey is HJDKDOKQXINYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H42O2Si2/c1-9-10-11-12-13-14-15-17(19)16-18(20-2,21(3,4)5)22(6,7)8/h17,19H,9-16H2,1-8H3.
What are the key properties of 1-methoxy-1,1-bis(trimethylsilyl)undecan-3-ol?
1-methoxy-1,1-bis(trimethylsilyl)undecan-3-ol has a molecular weight of 346.70 g/mol, XLogP of 5.63, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-1,1-bis(trimethylsilyl)undecan-3-ol is sourced from PubChem (CID 14227093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).