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

C13H28O2Si — CID 11322523

IUPAC(3R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-1-en-3-ol
SMILESC=C(C)[C@H](O)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O2Si/c1-10(2)12(14)11(3)9-15-16(7,8)13(4,5)6/h11-12,14H,1,9H2,2-8H3/t11-,12-/m0/s1
InChIKeyXEOZFBOVVSTMMM-RYUDHWBXSA-N
MW244.45 g/mol
LogP3.58
Rot. Bonds5

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

(3R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-1-en-3-ol (PubChem CID 11322523) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is (3R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-1-en-3-ol.

Molecular Properties

Compound Name(3R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-1-en-3-ol
PubChem CID11322523
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Name(3R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-1-en-3-ol
SMILESC=C(C)[C@H](O)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O2Si/c1-10(2)12(14)11(3)9-15-16(7,8)13(4,5)6/h11-12,14H,1,9H2,2-8H3/t11-,12-/m0/s1
InChIKeyXEOZFBOVVSTMMM-RYUDHWBXSA-N
XLogP3.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

(3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-3-ol
CID 10999289
(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-ol
CID 24822910
(3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylhepta-1,6-dien-4-ol
CID 60170021
(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-1-ol
CID 10800361
(2S,3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-en-3-ol
CID 10868990
(2R,3R)-2,4-dimethyl-3-trimethylsilylpent-4-en-1-ol
CID 10943201
(2S,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-en-3-ol
CID 10967188
(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-5-en-3-ol
CID 11276618
(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-en-1-ol
CID 11615558
(2S,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-en-3-ol
CID 11747297
(2R,3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-en-3-ol
CID 11747298
4-Methyl-2-(trimethylsilylmethyl)pent-4-en-1-ol
CID 11830158

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-1-en-3-ol?
The IUPAC name of (3R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-1-en-3-ol (CID 11322523) is (3R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-1-en-3-ol.
What is the SMILES notation for (3R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-1-en-3-ol?
The canonical SMILES for (3R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-1-en-3-ol is C=C(C)[C@H](O)[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-1-en-3-ol?
The InChIKey is XEOZFBOVVSTMMM-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H28O2Si/c1-10(2)12(14)11(3)9-15-16(7,8)13(4,5)6/h11-12,14H,1,9H2,2-8H3/t11-,12-/m0/s1.
What are the key properties of (3R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-1-en-3-ol?
(3R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-1-en-3-ol has a molecular weight of 244.45 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-1-en-3-ol is sourced from PubChem (CID 11322523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).