4-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-en-1-ol

C14H30O2Si — CID 150371116

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-en-1-ol
SMILESCCCC(C)(C=CCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O2Si/c1-8-10-14(5,11-9-12-15)16-17(6,7)13(2,3)4/h9,11,15H,8,10,12H2,1-7H3
InChIKeyGXTCYQPQQFWOHS-UHFFFAOYSA-N
MW258.48 g/mol
LogP4.12
Rot. Bonds6

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

4-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-en-1-ol (PubChem CID 150371116) has the molecular formula C14H30O2Si and a molecular weight of 258.48 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-en-1-ol.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-en-1-ol
PubChem CID150371116
Molecular FormulaC14H30O2Si
Molecular Weight258.48 g/mol
Exact Mass258.20
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-en-1-ol
SMILESCCCC(C)(C=CCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O2Si/c1-8-10-14(5,11-9-12-15)16-17(6,7)13(2,3)4/h9,11,15H,8,10,12H2,1-7H3
InChIKeyGXTCYQPQQFWOHS-UHFFFAOYSA-N
XLogP4.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.48
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Cyclopenten-1-ol, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, cis-
CID 10176747
(E,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-en-1-ol
CID 12194985
(Z)-2-methyl-3-(trimethylsilylmethyl)oct-3-ene-2,7-diol
CID 13508268
(E)-3-methyl-6-triethylsilyloxyhex-2-en-1-ol
CID 101521913
(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-en-1-ol
CID 10489670
Rel-(1R,4S)-4-((tert-butyldimethylsilyl)oxy)cyclopent-2-en-1-ol
CID 10910904
(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol
CID 11020261
(1r, 3r)-1-(Tert-butyl-dimethylsiloxy)-3-hydroxy-4-cyclopentene
CID 10878531
(E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-en-1-ol
CID 10421944
(Z,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-en-1-ol
CID 10488936
(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclopent-2-en-1-ol
CID 11345217
(E,4S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-2-en-4-ol
CID 11402685

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-en-1-ol?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-en-1-ol (CID 150371116) is 4-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-en-1-ol.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-en-1-ol?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-en-1-ol is CCCC(C)(C=CCO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-en-1-ol?
The InChIKey is GXTCYQPQQFWOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2Si/c1-8-10-14(5,11-9-12-15)16-17(6,7)13(2,3)4/h9,11,15H,8,10,12H2,1-7H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-en-1-ol?
4-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-en-1-ol has a molecular weight of 258.48 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-en-1-ol is sourced from PubChem (CID 150371116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).