(3S,4S,5S)-2-ethoxy-5-(methoxymethoxy)-4-[(E)-2-methyl-3-trimethylsilylprop-2-enyl]dec-1-en-3-ol

C21H42O4Si — CID 11372598

IUPAC(3S,4S,5S)-2-ethoxy-5-(methoxymethoxy)-4-[(E)-2-methyl-3-trimethylsilylprop-2-enyl]dec-1-en-3-ol
SMILESC=C(OCC)[C@@H](O)[C@H](C/C(C)=C/[Si](C)(C)C)[C@H](CCCCC)OCOC
InChIInChI=1S/C21H42O4Si/c1-9-11-12-13-20(25-16-23-5)19(21(22)18(4)24-10-2)14-17(3)15-26(6,7)8/h15,19-22H,4,9-14,16H2,1-3,5-8H3/b17-15+/t19-,20+,21-/m1/s1
InChIKeyPKCQZISPMSYRPM-FENYIOJPSA-N
MW386.65 g/mol
LogP5.30
Rot. Bonds15

About (3S,4S,5S)-2-ethoxy-5-(methoxymethoxy)-4-[(E)-2-methyl-3-trimethylsilylprop-2-enyl]dec-1-en-3-ol

(3S,4S,5S)-2-ethoxy-5-(methoxymethoxy)-4-[(E)-2-methyl-3-trimethylsilylprop-2-enyl]dec-1-en-3-ol (PubChem CID 11372598) has the molecular formula C21H42O4Si and a molecular weight of 386.65 g/mol. Its IUPAC name is (3S,4S,5S)-2-ethoxy-5-(methoxymethoxy)-4-[(E)-2-methyl-3-trimethylsilylprop-2-enyl]dec-1-en-3-ol.

Molecular Properties

Compound Name(3S,4S,5S)-2-ethoxy-5-(methoxymethoxy)-4-[(E)-2-methyl-3-trimethylsilylprop-2-enyl]dec-1-en-3-ol
PubChem CID11372598
Molecular FormulaC21H42O4Si
Molecular Weight386.65 g/mol
Exact Mass386.29
IUPAC Name(3S,4S,5S)-2-ethoxy-5-(methoxymethoxy)-4-[(E)-2-methyl-3-trimethylsilylprop-2-enyl]dec-1-en-3-ol
SMILESC=C(OCC)[C@@H](O)[C@H](C/C(C)=C/[Si](C)(C)C)[C@H](CCCCC)OCOC
InChIInChI=1S/C21H42O4Si/c1-9-11-12-13-20(25-16-23-5)19(21(22)18(4)24-10-2)14-17(3)15-26(6,7)8/h15,19-22H,4,9-14,16H2,1-3,5-8H3/b17-15+/t19-,20+,21-/m1/s1
InChIKeyPKCQZISPMSYRPM-FENYIOJPSA-N
XLogP5.30
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.65
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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'}

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Frequently Asked Questions

What is the IUPAC name of (3S,4S,5S)-2-ethoxy-5-(methoxymethoxy)-4-[(E)-2-methyl-3-trimethylsilylprop-2-enyl]dec-1-en-3-ol?
The IUPAC name of (3S,4S,5S)-2-ethoxy-5-(methoxymethoxy)-4-[(E)-2-methyl-3-trimethylsilylprop-2-enyl]dec-1-en-3-ol (CID 11372598) is (3S,4S,5S)-2-ethoxy-5-(methoxymethoxy)-4-[(E)-2-methyl-3-trimethylsilylprop-2-enyl]dec-1-en-3-ol.
What is the SMILES notation for (3S,4S,5S)-2-ethoxy-5-(methoxymethoxy)-4-[(E)-2-methyl-3-trimethylsilylprop-2-enyl]dec-1-en-3-ol?
The canonical SMILES for (3S,4S,5S)-2-ethoxy-5-(methoxymethoxy)-4-[(E)-2-methyl-3-trimethylsilylprop-2-enyl]dec-1-en-3-ol is C=C(OCC)[C@@H](O)[C@H](C/C(C)=C/[Si](C)(C)C)[C@H](CCCCC)OCOC.
What is the InChIKey of (3S,4S,5S)-2-ethoxy-5-(methoxymethoxy)-4-[(E)-2-methyl-3-trimethylsilylprop-2-enyl]dec-1-en-3-ol?
The InChIKey is PKCQZISPMSYRPM-FENYIOJPSA-N. The full InChI is InChI=1S/C21H42O4Si/c1-9-11-12-13-20(25-16-23-5)19(21(22)18(4)24-10-2)14-17(3)15-26(6,7)8/h15,19-22H,4,9-14,16H2,1-3,5-8H3/b17-15+/t19-,20+,21-/m1/s1.
What are the key properties of (3S,4S,5S)-2-ethoxy-5-(methoxymethoxy)-4-[(E)-2-methyl-3-trimethylsilylprop-2-enyl]dec-1-en-3-ol?
(3S,4S,5S)-2-ethoxy-5-(methoxymethoxy)-4-[(E)-2-methyl-3-trimethylsilylprop-2-enyl]dec-1-en-3-ol has a molecular weight of 386.65 g/mol, XLogP of 5.30, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5S)-2-ethoxy-5-(methoxymethoxy)-4-[(E)-2-methyl-3-trimethylsilylprop-2-enyl]dec-1-en-3-ol is sourced from PubChem (CID 11372598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).