(2R,3R)-2-[(E)-3-(2-trimethylsilylethoxymethoxy)prop-1-enyl]pentane-1,3-diol

C14H30O4Si — CID 11254791

IUPAC(2R,3R)-2-[(E)-3-(2-trimethylsilylethoxymethoxy)prop-1-enyl]pentane-1,3-diol
SMILESCC[C@@H](O)[C@H](/C=C/COCOCC[Si](C)(C)C)CO
InChIInChI=1S/C14H30O4Si/c1-5-14(16)13(11-15)7-6-8-17-12-18-9-10-19(2,3)4/h6-7,13-16H,5,8-12H2,1-4H3/b7-6+/t13-,14-/m1/s1
InChIKeyBDRZXASRLNENPY-JLVOYYQZSA-N
MW290.48 g/mol
LogP2.25
Rot. Bonds11

About (2R,3R)-2-[(E)-3-(2-trimethylsilylethoxymethoxy)prop-1-enyl]pentane-1,3-diol

(2R,3R)-2-[(E)-3-(2-trimethylsilylethoxymethoxy)prop-1-enyl]pentane-1,3-diol (PubChem CID 11254791) has the molecular formula C14H30O4Si and a molecular weight of 290.48 g/mol. Its IUPAC name is (2R,3R)-2-[(E)-3-(2-trimethylsilylethoxymethoxy)prop-1-enyl]pentane-1,3-diol.

Molecular Properties

Compound Name(2R,3R)-2-[(E)-3-(2-trimethylsilylethoxymethoxy)prop-1-enyl]pentane-1,3-diol
PubChem CID11254791
Molecular FormulaC14H30O4Si
Molecular Weight290.48 g/mol
Exact Mass290.19
IUPAC Name(2R,3R)-2-[(E)-3-(2-trimethylsilylethoxymethoxy)prop-1-enyl]pentane-1,3-diol
SMILESCC[C@@H](O)[C@H](/C=C/COCOCC[Si](C)(C)C)CO
InChIInChI=1S/C14H30O4Si/c1-5-14(16)13(11-15)7-6-8-17-12-18-9-10-19(2,3)4/h6-7,13-16H,5,8-12H2,1-4H3/b7-6+/t13-,14-/m1/s1
InChIKeyBDRZXASRLNENPY-JLVOYYQZSA-N
XLogP2.25
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E,4R,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-(4H-1,3-dioxin-4-yl)-5-methyloct-1-en-4-ol
CID 134875186
(4E,6R,7S,8S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6,8-dimethyldeca-1,4-dien-3-ol
CID 134875286
[(1s,2r,5s)-5-(Methoxymethoxy)cyclopent-3-ene-1,2-diyl]dimethanol
CID 172645646
[(1s,2r,5s)-2-{[(t-Butyldimethylsilyl)oxy]methyl}-5-(methoxymethoxy)cyclopent-3-en-1-yl]methanol
CID 172645702
[(1r,4s,5s)-5-{[(t-Butyldimethylsilyl)oxy]methyl}-4-(methoxymethoxy)cyclopent-2-en-1-yl]methanol
CID 172645703
(E,4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)hex-2-en-1-ol
CID 11119829
1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]-3,6-dihydro-2H-pyran-2-yl]propan-1-ol
CID 10003771
(E)-2-ethenyl-7-(propan-2-yloxymethoxymethoxy)hept-5-en-1-ol
CID 11010672
(E)-2-ethenyl-7-(propan-2-yloxymethoxy)hept-5-en-1-ol
CID 11085554
[(E)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhept-2-enyl] ethyl carbonate
CID 11544517
(Z,2S,3R,4S)-3-(methoxymethoxy)-2,4-dimethyl-6-trimethylsilylhept-5-en-1-ol
CID 25170041
2-Ethenyl-7-({[(propan-2-yl)oxy]methoxy}methoxy)hept-5-en-1-ol
CID 71348731

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-[(E)-3-(2-trimethylsilylethoxymethoxy)prop-1-enyl]pentane-1,3-diol?
The IUPAC name of (2R,3R)-2-[(E)-3-(2-trimethylsilylethoxymethoxy)prop-1-enyl]pentane-1,3-diol (CID 11254791) is (2R,3R)-2-[(E)-3-(2-trimethylsilylethoxymethoxy)prop-1-enyl]pentane-1,3-diol.
What is the SMILES notation for (2R,3R)-2-[(E)-3-(2-trimethylsilylethoxymethoxy)prop-1-enyl]pentane-1,3-diol?
The canonical SMILES for (2R,3R)-2-[(E)-3-(2-trimethylsilylethoxymethoxy)prop-1-enyl]pentane-1,3-diol is CC[C@@H](O)[C@H](/C=C/COCOCC[Si](C)(C)C)CO.
What is the InChIKey of (2R,3R)-2-[(E)-3-(2-trimethylsilylethoxymethoxy)prop-1-enyl]pentane-1,3-diol?
The InChIKey is BDRZXASRLNENPY-JLVOYYQZSA-N. The full InChI is InChI=1S/C14H30O4Si/c1-5-14(16)13(11-15)7-6-8-17-12-18-9-10-19(2,3)4/h6-7,13-16H,5,8-12H2,1-4H3/b7-6+/t13-,14-/m1/s1.
What are the key properties of (2R,3R)-2-[(E)-3-(2-trimethylsilylethoxymethoxy)prop-1-enyl]pentane-1,3-diol?
(2R,3R)-2-[(E)-3-(2-trimethylsilylethoxymethoxy)prop-1-enyl]pentane-1,3-diol has a molecular weight of 290.48 g/mol, XLogP of 2.25, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-[(E)-3-(2-trimethylsilylethoxymethoxy)prop-1-enyl]pentane-1,3-diol is sourced from PubChem (CID 11254791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).