(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-1-ol

C13H28O2Si — CID 10800361

IUPAC(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-1-ol
SMILESC=C[C@@H](C)[C@H](CCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O2Si/c1-8-11(2)12(9-10-14)15-16(6,7)13(3,4)5/h8,11-12,14H,1,9-10H2,2-7H3/t11-,12+/m1/s1
InChIKeyCBUHOWZYOOTFGK-NEPJUHHUSA-N
MW244.45 g/mol
LogP3.58
Rot. Bonds6

About (3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-1-ol

(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-1-ol (PubChem CID 10800361) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is (3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-1-ol.

Molecular Properties

Compound Name(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-1-ol
PubChem CID10800361
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Name(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-1-ol
SMILESC=C[C@@H](C)[C@H](CCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O2Si/c1-8-11(2)12(9-10-14)15-16(6,7)13(3,4)5/h8,11-12,14H,1,9-10H2,2-7H3/t11-,12+/m1/s1
InChIKeyCBUHOWZYOOTFGK-NEPJUHHUSA-N
XLogP3.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 53.58
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

3-[Tert-butyl(dimethyl)silyl]oxypent-4-en-1-ol
CID 17795838
(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-ol
CID 11715728
(E)-2-methyl-6-trimethylsilylhex-5-en-3-ol
CID 13263808
(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
(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-5-en-2-ol
CID 138985053
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

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-1-ol?
The IUPAC name of (3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-1-ol (CID 10800361) is (3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-1-ol.
What is the SMILES notation for (3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-1-ol?
The canonical SMILES for (3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-1-ol is C=C[C@@H](C)[C@H](CCO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-1-ol?
The InChIKey is CBUHOWZYOOTFGK-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H28O2Si/c1-8-11(2)12(9-10-14)15-16(6,7)13(3,4)5/h8,11-12,14H,1,9-10H2,2-7H3/t11-,12+/m1/s1.
What are the key properties of (3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-1-ol?
(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-1-ol has a molecular weight of 244.45 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-1-ol is sourced from PubChem (CID 10800361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).