[(E,2R,3R)-5-[(2S,3S,6S)-3-(methoxymethoxy)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]-3-methylhex-4-en-2-yl]oxy-tri(propan-2-yl)silane

C26H48O4Si — CID 175882118

IUPAC[(E,2R,3R)-5-[(2S,3S,6S)-3-(methoxymethoxy)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]-3-methylhex-4-en-2-yl]oxy-tri(propan-2-yl)silane
SMILESC=CC[C@H]1C=C[C@H](OCOC)[C@H](/C(C)=C/[C@@H](C)[C@@H](C)O[Si](C(C)C)(C(C)C)C(C)C)O1
InChIInChI=1S/C26H48O4Si/c1-12-13-24-14-15-25(28-17-27-11)26(29-24)22(9)16-21(8)23(10)30-31(18(2)3,19(4)5)20(6)7/h12,14-16,18-21,23-26H,1,13,17H2,2-11H3/b22-16+/t21-,23-,24+,25+,26+/m1/s1
InChIKeyHTHPRUGMISYPMA-SVXHLEKWSA-N
MW452.75 g/mol
LogP7.04
Rot. Bonds13

About [(E,2R,3R)-5-[(2S,3S,6S)-3-(methoxymethoxy)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]-3-methylhex-4-en-2-yl]oxy-tri(propan-2-yl)silane

[(E,2R,3R)-5-[(2S,3S,6S)-3-(methoxymethoxy)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]-3-methylhex-4-en-2-yl]oxy-tri(propan-2-yl)silane (PubChem CID 175882118) has the molecular formula C26H48O4Si and a molecular weight of 452.75 g/mol. Its IUPAC name is [(E,2R,3R)-5-[(2S,3S,6S)-3-(methoxymethoxy)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]-3-methylhex-4-en-2-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(E,2R,3R)-5-[(2S,3S,6S)-3-(methoxymethoxy)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]-3-methylhex-4-en-2-yl]oxy-tri(propan-2-yl)silane
PubChem CID175882118
Molecular FormulaC26H48O4Si
Molecular Weight452.75 g/mol
Exact Mass452.33
IUPAC Name[(E,2R,3R)-5-[(2S,3S,6S)-3-(methoxymethoxy)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]-3-methylhex-4-en-2-yl]oxy-tri(propan-2-yl)silane
SMILESC=CC[C@H]1C=C[C@H](OCOC)[C@H](/C(C)=C/[C@@H](C)[C@@H](C)O[Si](C(C)C)(C(C)C)C(C)C)O1
InChIInChI=1S/C26H48O4Si/c1-12-13-24-14-15-25(28-17-27-11)26(29-24)22(9)16-21(8)23(10)30-31(18(2)3,19(4)5)20(6)7/h12,14-16,18-21,23-26H,1,13,17H2,2-11H3/b22-16+/t21-,23-,24+,25+,26+/m1/s1
InChIKeyHTHPRUGMISYPMA-SVXHLEKWSA-N
XLogP7.04
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.75
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of [(E,2R,3R)-5-[(2S,3S,6S)-3-(methoxymethoxy)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]-3-methylhex-4-en-2-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(E,2R,3R)-5-[(2S,3S,6S)-3-(methoxymethoxy)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]-3-methylhex-4-en-2-yl]oxy-tri(propan-2-yl)silane (CID 175882118) is [(E,2R,3R)-5-[(2S,3S,6S)-3-(methoxymethoxy)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]-3-methylhex-4-en-2-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(E,2R,3R)-5-[(2S,3S,6S)-3-(methoxymethoxy)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]-3-methylhex-4-en-2-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(E,2R,3R)-5-[(2S,3S,6S)-3-(methoxymethoxy)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]-3-methylhex-4-en-2-yl]oxy-tri(propan-2-yl)silane is C=CC[C@H]1C=C[C@H](OCOC)[C@H](/C(C)=C/[C@@H](C)[C@@H](C)O[Si](C(C)C)(C(C)C)C(C)C)O1.
What is the InChIKey of [(E,2R,3R)-5-[(2S,3S,6S)-3-(methoxymethoxy)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]-3-methylhex-4-en-2-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is HTHPRUGMISYPMA-SVXHLEKWSA-N. The full InChI is InChI=1S/C26H48O4Si/c1-12-13-24-14-15-25(28-17-27-11)26(29-24)22(9)16-21(8)23(10)30-31(18(2)3,19(4)5)20(6)7/h12,14-16,18-21,23-26H,1,13,17H2,2-11H3/b22-16+/t21-,23-,24+,25+,26+/m1/s1.
What are the key properties of [(E,2R,3R)-5-[(2S,3S,6S)-3-(methoxymethoxy)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]-3-methylhex-4-en-2-yl]oxy-tri(propan-2-yl)silane?
[(E,2R,3R)-5-[(2S,3S,6S)-3-(methoxymethoxy)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]-3-methylhex-4-en-2-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 452.75 g/mol, XLogP of 7.04, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,2R,3R)-5-[(2S,3S,6S)-3-(methoxymethoxy)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]-3-methylhex-4-en-2-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 175882118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).