(E)-3-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5-[(E)-prop-1-enyl]oxolan-2-yl]prop-2-en-1-ol

C18H34O5Si — CID 11035735

IUPAC(E)-3-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5-[(E)-prop-1-enyl]oxolan-2-yl]prop-2-en-1-ol
SMILESC/C=C/[C@H]1O[C@@H](/C=C/CO)[C@H](OCOC)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O5Si/c1-8-10-14-17(23-24(6,7)18(2,3)4)16(21-13-20-5)15(22-14)11-9-12-19/h8-11,14-17,19H,12-13H2,1-7H3/b10-8+,11-9+/t14-,15+,16+,17+/m1/s1
InChIKeyVGJAGIOSLOQIST-FLEMJBRTSA-N
MW358.55 g/mol
LogP3.26
Rot. Bonds8

About (E)-3-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5-[(E)-prop-1-enyl]oxolan-2-yl]prop-2-en-1-ol

(E)-3-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5-[(E)-prop-1-enyl]oxolan-2-yl]prop-2-en-1-ol (PubChem CID 11035735) has the molecular formula C18H34O5Si and a molecular weight of 358.55 g/mol. Its IUPAC name is (E)-3-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5-[(E)-prop-1-enyl]oxolan-2-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5-[(E)-prop-1-enyl]oxolan-2-yl]prop-2-en-1-ol
PubChem CID11035735
Molecular FormulaC18H34O5Si
Molecular Weight358.55 g/mol
Exact Mass358.22
IUPAC Name(E)-3-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5-[(E)-prop-1-enyl]oxolan-2-yl]prop-2-en-1-ol
SMILESC/C=C/[C@H]1O[C@@H](/C=C/CO)[C@H](OCOC)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O5Si/c1-8-10-14-17(23-24(6,7)18(2,3)4)16(21-13-20-5)15(22-14)11-9-12-19/h8-11,14-17,19H,12-13H2,1-7H3/b10-8+,11-9+/t14-,15+,16+,17+/m1/s1
InChIKeyVGJAGIOSLOQIST-FLEMJBRTSA-N
XLogP3.26
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.55
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

(2R)-6-methyl-1-[2-[(Z,5S)-5-tri(propan-2-yl)silyloxyhept-3-enyl]-1,3-dioxolan-2-yl]hept-5-en-2-ol
CID 5471932
2-(tert-Butyl-dimethyl-silanyloxy)-7-methoxymethoxy-undec-4-en-6-ol (2)
CID 24864792
(2E,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)nona-2,8-dien-1-ol
CID 46197055
(2E,4E,8S,9S)-8-[tert-butyl(dimethyl)silyl]oxy-9-(methoxymethoxy)-2-methylundeca-2,4,10-trien-1-ol
CID 46197056
(4s,5s,6r,2z)-6,7-Bis[(t-butyldimethyl-silyl)oxy]-4,5-(isopropylidenedioxy)hept-2-en-1-ol
CID 56600291
(1S,4S,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-4-(methoxymethoxy)cyclohex-2-en-1-ol
CID 134836901
(E,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)hept-2-en-1-ol
CID 134842571
(E)-3-[(4R,5S)-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyethoxymethoxy)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 134887319
(4R,5E,7S)-7-(methoxymethoxy)-7-methyl-8-tri(propan-2-yl)silyloxyocta-1,5-dien-4-ol
CID 134939182
[(E)-3-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl] methyl carbonate
CID 135014723
(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)hex-2-en-1-ol
CID 139252220
2-(tert-Butyl-dimethyl-silanyloxy)-7-methoxymethoxy-undec-4-en-6-ol
CID 145927273

Frequently Asked Questions

What is the IUPAC name of (E)-3-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5-[(E)-prop-1-enyl]oxolan-2-yl]prop-2-en-1-ol?
The IUPAC name of (E)-3-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5-[(E)-prop-1-enyl]oxolan-2-yl]prop-2-en-1-ol (CID 11035735) is (E)-3-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5-[(E)-prop-1-enyl]oxolan-2-yl]prop-2-en-1-ol.
What is the SMILES notation for (E)-3-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5-[(E)-prop-1-enyl]oxolan-2-yl]prop-2-en-1-ol?
The canonical SMILES for (E)-3-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5-[(E)-prop-1-enyl]oxolan-2-yl]prop-2-en-1-ol is C/C=C/[C@H]1O[C@@H](/C=C/CO)[C@H](OCOC)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E)-3-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5-[(E)-prop-1-enyl]oxolan-2-yl]prop-2-en-1-ol?
The InChIKey is VGJAGIOSLOQIST-FLEMJBRTSA-N. The full InChI is InChI=1S/C18H34O5Si/c1-8-10-14-17(23-24(6,7)18(2,3)4)16(21-13-20-5)15(22-14)11-9-12-19/h8-11,14-17,19H,12-13H2,1-7H3/b10-8+,11-9+/t14-,15+,16+,17+/m1/s1.
What are the key properties of (E)-3-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5-[(E)-prop-1-enyl]oxolan-2-yl]prop-2-en-1-ol?
(E)-3-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5-[(E)-prop-1-enyl]oxolan-2-yl]prop-2-en-1-ol has a molecular weight of 358.55 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5-[(E)-prop-1-enyl]oxolan-2-yl]prop-2-en-1-ol is sourced from PubChem (CID 11035735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).