(3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-5-en-1-ol

C14H30O2Si — CID 134859213

IUPAC(3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-5-en-1-ol
SMILESC=CC[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)CO
InChIInChI=1S/C14H30O2Si/c1-9-10-12(14(5,6)11-15)16-17(7,8)13(2,3)4/h9,12,15H,1,10-11H2,2-8H3/t12-/m0/s1
InChIKeyCSSOLKUSELDULI-LBPRGKRZSA-N
MW258.48 g/mol
LogP3.97
Rot. Bonds6

About (3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-5-en-1-ol

(3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-5-en-1-ol (PubChem CID 134859213) has the molecular formula C14H30O2Si and a molecular weight of 258.48 g/mol. Its IUPAC name is (3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-5-en-1-ol.

Molecular Properties

Compound Name(3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-5-en-1-ol
PubChem CID134859213
Molecular FormulaC14H30O2Si
Molecular Weight258.48 g/mol
Exact Mass258.20
IUPAC Name(3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-5-en-1-ol
SMILESC=CC[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)CO
InChIInChI=1S/C14H30O2Si/c1-9-10-12(14(5,6)11-15)16-17(7,8)13(2,3)4/h9,12,15H,1,10-11H2,2-8H3/t12-/m0/s1
InChIKeyCSSOLKUSELDULI-LBPRGKRZSA-N
XLogP3.97
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 ≤ 53.97
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

(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-ol
CID 11715728
(4S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-1-en-4-ol
CID 13523917
(4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-1-en-4-ol
CID 13523918
(3S,4S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol
CID 13523927
3-[Tert-butyl(dimethyl)silyl]oxyhex-5-en-1-ol
CID 85798469
(3S,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol
CID 134993137
(3R,4S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol
CID 134993187
5-Hexen-3-ol, 1-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 10988080
(3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-3-ol
CID 10999289
(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylnona-1,8-dien-4-ol
CID 11580263
(3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylhepta-1,6-dien-4-ol
CID 60170021
1-[1-Fluorobutyl(dimethyl)silyl]oxyhex-5-en-3-ol
CID 87895074

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-5-en-1-ol?
The IUPAC name of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-5-en-1-ol (CID 134859213) is (3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-5-en-1-ol.
What is the SMILES notation for (3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-5-en-1-ol?
The canonical SMILES for (3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-5-en-1-ol is C=CC[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)CO.
What is the InChIKey of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-5-en-1-ol?
The InChIKey is CSSOLKUSELDULI-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H30O2Si/c1-9-10-12(14(5,6)11-15)16-17(7,8)13(2,3)4/h9,12,15H,1,10-11H2,2-8H3/t12-/m0/s1.
What are the key properties of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-5-en-1-ol?
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-5-en-1-ol has a molecular weight of 258.48 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-5-en-1-ol is sourced from PubChem (CID 134859213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).