7-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhept-2-en-1-ol

C15H32O2Si — CID 131748555

IUPAC7-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhept-2-en-1-ol
SMILESCC(C)(C=CCO)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O2Si/c1-14(2,3)18(6,7)17-13-9-11-15(4,5)10-8-12-16/h8,10,16H,9,11-13H2,1-7H3
InChIKeyDFONURADROVQCB-UHFFFAOYSA-N
MW272.50 g/mol
LogP4.36
Rot. Bonds7

About 7-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhept-2-en-1-ol

7-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhept-2-en-1-ol (PubChem CID 131748555) has the molecular formula C15H32O2Si and a molecular weight of 272.50 g/mol. Its IUPAC name is 7-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhept-2-en-1-ol.

Molecular Properties

Compound Name7-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhept-2-en-1-ol
PubChem CID131748555
Molecular FormulaC15H32O2Si
Molecular Weight272.50 g/mol
Exact Mass272.22
IUPAC Name7-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhept-2-en-1-ol
SMILESCC(C)(C=CCO)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O2Si/c1-14(2,3)18(6,7)17-13-9-11-15(4,5)10-8-12-16/h8,10,16H,9,11-13H2,1-7H3
InChIKeyDFONURADROVQCB-UHFFFAOYSA-N
XLogP4.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.50
LogP ≤ 54.36
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhept-2-en-1-ol?
The IUPAC name of 7-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhept-2-en-1-ol (CID 131748555) is 7-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhept-2-en-1-ol.
What is the SMILES notation for 7-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhept-2-en-1-ol?
The canonical SMILES for 7-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhept-2-en-1-ol is CC(C)(C=CCO)CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 7-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhept-2-en-1-ol?
The InChIKey is DFONURADROVQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O2Si/c1-14(2,3)18(6,7)17-13-9-11-15(4,5)10-8-12-16/h8,10,16H,9,11-13H2,1-7H3.
What are the key properties of 7-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhept-2-en-1-ol?
7-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhept-2-en-1-ol has a molecular weight of 272.50 g/mol, XLogP of 4.36, 7 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]oxy-4,4-dimethylhept-2-en-1-ol is sourced from PubChem (CID 131748555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).