7-[tert-butyl(dimethyl)silyl]oxyheptan-1-ol

C13H30O2Si — CID 11481999

IUPAC7-[tert-butyl(dimethyl)silyl]oxyheptan-1-ol
SMILESCC(C)(C)[Si](C)(C)OCCCCCCCO
InChIInChI=1S/C13H30O2Si/c1-13(2,3)16(4,5)15-12-10-8-6-7-9-11-14/h14H,6-12H2,1-5H3
InChIKeyJACCIGDFZIRSAH-UHFFFAOYSA-N
MW246.47 g/mol
LogP3.95
Rot. Bonds8

About 7-[tert-butyl(dimethyl)silyl]oxyheptan-1-ol

7-[tert-butyl(dimethyl)silyl]oxyheptan-1-ol (PubChem CID 11481999) has the molecular formula C13H30O2Si and a molecular weight of 246.47 g/mol. Its IUPAC name is 7-[tert-butyl(dimethyl)silyl]oxyheptan-1-ol.

Molecular Properties

Compound Name7-[tert-butyl(dimethyl)silyl]oxyheptan-1-ol
PubChem CID11481999
Molecular FormulaC13H30O2Si
Molecular Weight246.47 g/mol
Exact Mass246.20
IUPAC Name7-[tert-butyl(dimethyl)silyl]oxyheptan-1-ol
SMILESCC(C)(C)[Si](C)(C)OCCCCCCCO
InChIInChI=1S/C13H30O2Si/c1-13(2,3)16(4,5)15-12-10-8-6-7-9-11-14/h14H,6-12H2,1-5H3
InChIKeyJACCIGDFZIRSAH-UHFFFAOYSA-N
XLogP3.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.47
LogP ≤ 53.95
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 7-[tert-butyl(dimethyl)silyl]oxyheptan-1-ol?
The IUPAC name of 7-[tert-butyl(dimethyl)silyl]oxyheptan-1-ol (CID 11481999) is 7-[tert-butyl(dimethyl)silyl]oxyheptan-1-ol.
What is the SMILES notation for 7-[tert-butyl(dimethyl)silyl]oxyheptan-1-ol?
The canonical SMILES for 7-[tert-butyl(dimethyl)silyl]oxyheptan-1-ol is CC(C)(C)[Si](C)(C)OCCCCCCCO.
What is the InChIKey of 7-[tert-butyl(dimethyl)silyl]oxyheptan-1-ol?
The InChIKey is JACCIGDFZIRSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30O2Si/c1-13(2,3)16(4,5)15-12-10-8-6-7-9-11-14/h14H,6-12H2,1-5H3.
What are the key properties of 7-[tert-butyl(dimethyl)silyl]oxyheptan-1-ol?
7-[tert-butyl(dimethyl)silyl]oxyheptan-1-ol has a molecular weight of 246.47 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[tert-butyl(dimethyl)silyl]oxyheptan-1-ol is sourced from PubChem (CID 11481999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).