(2S,3R)-2,4-dimethyl-3-triethylsilyloxypent-4-en-1-ol

C13H28O2Si — CID 10729017

IUPAC(2S,3R)-2,4-dimethyl-3-triethylsilyloxypent-4-en-1-ol
SMILESC=C(C)[C@H](O[Si](CC)(CC)CC)[C@@H](C)CO
InChIInChI=1S/C13H28O2Si/c1-7-16(8-2,9-3)15-13(11(4)5)12(6)10-14/h12-14H,4,7-10H2,1-3,5-6H3/t12-,13-/m0/s1
InChIKeyNXKVOAMPGUTHAB-STQMWFEESA-N
MW244.45 g/mol
LogP3.58
Rot. Bonds8

About (2S,3R)-2,4-dimethyl-3-triethylsilyloxypent-4-en-1-ol

(2S,3R)-2,4-dimethyl-3-triethylsilyloxypent-4-en-1-ol (PubChem CID 10729017) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is (2S,3R)-2,4-dimethyl-3-triethylsilyloxypent-4-en-1-ol.

Molecular Properties

Compound Name(2S,3R)-2,4-dimethyl-3-triethylsilyloxypent-4-en-1-ol
PubChem CID10729017
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Name(2S,3R)-2,4-dimethyl-3-triethylsilyloxypent-4-en-1-ol
SMILESC=C(C)[C@H](O[Si](CC)(CC)CC)[C@@H](C)CO
InChIInChI=1S/C13H28O2Si/c1-7-16(8-2,9-3)15-13(11(4)5)12(6)10-14/h12-14H,4,7-10H2,1-3,5-6H3/t12-,13-/m0/s1
InChIKeyNXKVOAMPGUTHAB-STQMWFEESA-N
XLogP3.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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

(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,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-3-ol
CID 10999289
(3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylhepta-1,6-dien-4-ol
CID 60170021
(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]hex-5-en-2-ol
CID 158968667
(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

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2,4-dimethyl-3-triethylsilyloxypent-4-en-1-ol?
The IUPAC name of (2S,3R)-2,4-dimethyl-3-triethylsilyloxypent-4-en-1-ol (CID 10729017) is (2S,3R)-2,4-dimethyl-3-triethylsilyloxypent-4-en-1-ol.
What is the SMILES notation for (2S,3R)-2,4-dimethyl-3-triethylsilyloxypent-4-en-1-ol?
The canonical SMILES for (2S,3R)-2,4-dimethyl-3-triethylsilyloxypent-4-en-1-ol is C=C(C)[C@H](O[Si](CC)(CC)CC)[C@@H](C)CO.
What is the InChIKey of (2S,3R)-2,4-dimethyl-3-triethylsilyloxypent-4-en-1-ol?
The InChIKey is NXKVOAMPGUTHAB-STQMWFEESA-N. The full InChI is InChI=1S/C13H28O2Si/c1-7-16(8-2,9-3)15-13(11(4)5)12(6)10-14/h12-14H,4,7-10H2,1-3,5-6H3/t12-,13-/m0/s1.
What are the key properties of (2S,3R)-2,4-dimethyl-3-triethylsilyloxypent-4-en-1-ol?
(2S,3R)-2,4-dimethyl-3-triethylsilyloxypent-4-en-1-ol has a molecular weight of 244.45 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2,4-dimethyl-3-triethylsilyloxypent-4-en-1-ol is sourced from PubChem (CID 10729017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).