(2S,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-en-3-ol

C14H30O2Si — CID 10967188

IUPAC(2S,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-en-3-ol
SMILESC=C[C@H](C)[C@@H](O)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O2Si/c1-9-11(2)13(15)12(3)10-16-17(7,8)14(4,5)6/h9,11-13,15H,1,10H2,2-8H3/t11-,12-,13+/m0/s1
InChIKeyJKEWULNLXLQSQZ-RWMBFGLXSA-N
MW258.48 g/mol
LogP3.83
Rot. Bonds6

About (2S,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-en-3-ol

(2S,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-en-3-ol (PubChem CID 10967188) has the molecular formula C14H30O2Si and a molecular weight of 258.48 g/mol. Its IUPAC name is (2S,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-en-3-ol.

Molecular Properties

Compound Name(2S,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-en-3-ol
PubChem CID10967188
Molecular FormulaC14H30O2Si
Molecular Weight258.48 g/mol
Exact Mass258.20
IUPAC Name(2S,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-en-3-ol
SMILESC=C[C@H](C)[C@@H](O)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O2Si/c1-9-11(2)13(15)12(3)10-16-17(7,8)14(4,5)6/h9,11-13,15H,1,10H2,2-8H3/t11-,12-,13+/m0/s1
InChIKeyJKEWULNLXLQSQZ-RWMBFGLXSA-N
XLogP3.83
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 ≤ 53.83
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 (2S,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-en-3-ol?
The IUPAC name of (2S,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-en-3-ol (CID 10967188) is (2S,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-en-3-ol.
What is the SMILES notation for (2S,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-en-3-ol?
The canonical SMILES for (2S,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-en-3-ol is C=C[C@H](C)[C@@H](O)[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-en-3-ol?
The InChIKey is JKEWULNLXLQSQZ-RWMBFGLXSA-N. The full InChI is InChI=1S/C14H30O2Si/c1-9-11(2)13(15)12(3)10-16-17(7,8)14(4,5)6/h9,11-13,15H,1,10H2,2-8H3/t11-,12-,13+/m0/s1.
What are the key properties of (2S,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-en-3-ol?
(2S,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-en-3-ol has a molecular weight of 258.48 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-en-3-ol is sourced from PubChem (CID 10967188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).