(2S,3R)-2-[(1R)-1-tri(propan-2-yl)silyloxybut-3-enyl]hex-5-ene-1,3-diol

C19H38O3Si — CID 10497523

IUPAC(2S,3R)-2-[(1R)-1-tri(propan-2-yl)silyloxybut-3-enyl]hex-5-ene-1,3-diol
SMILESC=CC[C@@H](O)[C@H](CO)[C@@H](CC=C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H38O3Si/c1-9-11-18(21)17(13-20)19(12-10-2)22-23(14(3)4,15(5)6)16(7)8/h9-10,14-21H,1-2,11-13H2,3-8H3/t17-,18+,19+/m0/s1
InChIKeyCBQNFPKFTVTELN-IPMKNSEASA-N
MW342.60 g/mol
LogP4.67
Rot. Bonds12

About (2S,3R)-2-[(1R)-1-tri(propan-2-yl)silyloxybut-3-enyl]hex-5-ene-1,3-diol

(2S,3R)-2-[(1R)-1-tri(propan-2-yl)silyloxybut-3-enyl]hex-5-ene-1,3-diol (PubChem CID 10497523) has the molecular formula C19H38O3Si and a molecular weight of 342.60 g/mol. Its IUPAC name is (2S,3R)-2-[(1R)-1-tri(propan-2-yl)silyloxybut-3-enyl]hex-5-ene-1,3-diol.

Molecular Properties

Compound Name(2S,3R)-2-[(1R)-1-tri(propan-2-yl)silyloxybut-3-enyl]hex-5-ene-1,3-diol
PubChem CID10497523
Molecular FormulaC19H38O3Si
Molecular Weight342.60 g/mol
Exact Mass342.26
IUPAC Name(2S,3R)-2-[(1R)-1-tri(propan-2-yl)silyloxybut-3-enyl]hex-5-ene-1,3-diol
SMILESC=CC[C@@H](O)[C@H](CO)[C@@H](CC=C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H38O3Si/c1-9-11-18(21)17(13-20)19(12-10-2)22-23(14(3)4,15(5)6)16(7)8/h9-10,14-21H,1-2,11-13H2,3-8H3/t17-,18+,19+/m0/s1
InChIKeyCBQNFPKFTVTELN-IPMKNSEASA-N
XLogP4.67
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.60
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

(2S)-2-tri(propan-2-yl)silyloxyhex-5-en-3-ol;(2S)-2-tri(propan-2-yl)silyloxypropanal
CID 163884444
(2R)-2-methylhex-5-ene-1,3-diol
CID 130652300
3-(1,2-dihydroxyhex-5-en-3-yloxy)hex-5-ene-1,2-diol
CID 57018640
methane;(4S,5R)-5-propan-2-ylocta-1,7-dien-4-ol
CID 157073054
(2R,3S,4S)-3-[(4-methoxyphenyl)methoxymethoxymethyl]-4-tri(propan-2-yl)silyloxyhept-6-en-2-ol
CID 10552181
(4S,5S)-5-ethyl-6-methylhept-1-en-4-ol
CID 59076573
3-methylhept-6-ene-2,4-diol
CID 66895376
(2R,3R,4R)-oct-7-ene-1,2,3,4,5-pentol
CID 134906193
1-methoxy-2-methylhex-5-en-3-ol
CID 116502507
(2R,3R,4R,5S,6R)-non-8-ene-1,2,3,4,5,6-hexol
CID 87557711
(2R)-1,1-dimethoxypent-4-en-2-ol
CID 102353171
1-tri(propan-2-yl)silyloxyethanol
CID 87610616

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-[(1R)-1-tri(propan-2-yl)silyloxybut-3-enyl]hex-5-ene-1,3-diol?
The IUPAC name of (2S,3R)-2-[(1R)-1-tri(propan-2-yl)silyloxybut-3-enyl]hex-5-ene-1,3-diol (CID 10497523) is (2S,3R)-2-[(1R)-1-tri(propan-2-yl)silyloxybut-3-enyl]hex-5-ene-1,3-diol.
What is the SMILES notation for (2S,3R)-2-[(1R)-1-tri(propan-2-yl)silyloxybut-3-enyl]hex-5-ene-1,3-diol?
The canonical SMILES for (2S,3R)-2-[(1R)-1-tri(propan-2-yl)silyloxybut-3-enyl]hex-5-ene-1,3-diol is C=CC[C@@H](O)[C@H](CO)[C@@H](CC=C)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (2S,3R)-2-[(1R)-1-tri(propan-2-yl)silyloxybut-3-enyl]hex-5-ene-1,3-diol?
The InChIKey is CBQNFPKFTVTELN-IPMKNSEASA-N. The full InChI is InChI=1S/C19H38O3Si/c1-9-11-18(21)17(13-20)19(12-10-2)22-23(14(3)4,15(5)6)16(7)8/h9-10,14-21H,1-2,11-13H2,3-8H3/t17-,18+,19+/m0/s1.
What are the key properties of (2S,3R)-2-[(1R)-1-tri(propan-2-yl)silyloxybut-3-enyl]hex-5-ene-1,3-diol?
(2S,3R)-2-[(1R)-1-tri(propan-2-yl)silyloxybut-3-enyl]hex-5-ene-1,3-diol has a molecular weight of 342.60 g/mol, XLogP of 4.67, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-[(1R)-1-tri(propan-2-yl)silyloxybut-3-enyl]hex-5-ene-1,3-diol is sourced from PubChem (CID 10497523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).