7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethylheptane-1,5-diol

C15H34O3Si — CID 59012169

IUPAC7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethylheptane-1,5-diol
SMILESCC(C)(CO[Si](C)(C)C(C)(C)C)C(O)CCCCO
InChIInChI=1S/C15H34O3Si/c1-14(2,3)19(6,7)18-12-15(4,5)13(17)10-8-9-11-16/h13,16-17H,8-12H2,1-7H3
InChIKeyQVIBBWIOAQFCNF-UHFFFAOYSA-N
MW290.52 g/mol
LogP3.56
Rot. Bonds8

About 7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethylheptane-1,5-diol

7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethylheptane-1,5-diol (PubChem CID 59012169) has the molecular formula C15H34O3Si and a molecular weight of 290.52 g/mol. Its IUPAC name is 7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethylheptane-1,5-diol.

Molecular Properties

Compound Name7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethylheptane-1,5-diol
PubChem CID59012169
Molecular FormulaC15H34O3Si
Molecular Weight290.52 g/mol
Exact Mass290.23
IUPAC Name7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethylheptane-1,5-diol
SMILESCC(C)(CO[Si](C)(C)C(C)(C)C)C(O)CCCCO
InChIInChI=1S/C15H34O3Si/c1-14(2,3)19(6,7)18-12-15(4,5)13(17)10-8-9-11-16/h13,16-17H,8-12H2,1-7H3
InChIKeyQVIBBWIOAQFCNF-UHFFFAOYSA-N
XLogP3.56
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.52
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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]oxy-6,6-dimethylheptane-1,5-diol?
The IUPAC name of 7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethylheptane-1,5-diol (CID 59012169) is 7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethylheptane-1,5-diol.
What is the SMILES notation for 7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethylheptane-1,5-diol?
The canonical SMILES for 7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethylheptane-1,5-diol is CC(C)(CO[Si](C)(C)C(C)(C)C)C(O)CCCCO.
What is the InChIKey of 7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethylheptane-1,5-diol?
The InChIKey is QVIBBWIOAQFCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34O3Si/c1-14(2,3)19(6,7)18-12-15(4,5)13(17)10-8-9-11-16/h13,16-17H,8-12H2,1-7H3.
What are the key properties of 7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethylheptane-1,5-diol?
7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethylheptane-1,5-diol has a molecular weight of 290.52 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethylheptane-1,5-diol is sourced from PubChem (CID 59012169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).