(1S)-1-[(2S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-[(Z)-dec-1-enyl]oxan-2-yl]prop-2-en-1-ol

C24H46O3Si — CID 11047885

IUPAC(1S)-1-[(2S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-[(Z)-dec-1-enyl]oxan-2-yl]prop-2-en-1-ol
SMILESC=C[C@H](O)[C@@H]1CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](/C=C\CCCCCCCC)O1
InChIInChI=1S/C24H46O3Si/c1-8-10-11-12-13-14-15-16-17-22-23(27-28(6,7)24(3,4)5)19-18-21(26-22)20(25)9-2/h9,16-17,20-23,25H,2,8,10-15,18-19H2,1,3-7H3/b17-16-/t20-,21-,22-,23+/m0/s1
InChIKeyFOPJEVBEWCCIGI-KPQMPYEVSA-N
MW410.72 g/mol
LogP6.78
Rot. Bonds12

About (1S)-1-[(2S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-[(Z)-dec-1-enyl]oxan-2-yl]prop-2-en-1-ol

(1S)-1-[(2S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-[(Z)-dec-1-enyl]oxan-2-yl]prop-2-en-1-ol (PubChem CID 11047885) has the molecular formula C24H46O3Si and a molecular weight of 410.72 g/mol. Its IUPAC name is (1S)-1-[(2S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-[(Z)-dec-1-enyl]oxan-2-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name(1S)-1-[(2S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-[(Z)-dec-1-enyl]oxan-2-yl]prop-2-en-1-ol
PubChem CID11047885
Molecular FormulaC24H46O3Si
Molecular Weight410.72 g/mol
Exact Mass410.32
IUPAC Name(1S)-1-[(2S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-[(Z)-dec-1-enyl]oxan-2-yl]prop-2-en-1-ol
SMILESC=C[C@H](O)[C@@H]1CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](/C=C\CCCCCCCC)O1
InChIInChI=1S/C24H46O3Si/c1-8-10-11-12-13-14-15-16-17-22-23(27-28(6,7)24(3,4)5)19-18-21(26-22)20(25)9-2/h9,16-17,20-23,25H,2,8,10-15,18-19H2,1,3-7H3/b17-16-/t20-,21-,22-,23+/m0/s1
InChIKeyFOPJEVBEWCCIGI-KPQMPYEVSA-N
XLogP6.78
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.72
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-[(Z)-dec-1-enyl]oxan-2-yl]prop-2-en-1-ol?
The IUPAC name of (1S)-1-[(2S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-[(Z)-dec-1-enyl]oxan-2-yl]prop-2-en-1-ol (CID 11047885) is (1S)-1-[(2S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-[(Z)-dec-1-enyl]oxan-2-yl]prop-2-en-1-ol.
What is the SMILES notation for (1S)-1-[(2S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-[(Z)-dec-1-enyl]oxan-2-yl]prop-2-en-1-ol?
The canonical SMILES for (1S)-1-[(2S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-[(Z)-dec-1-enyl]oxan-2-yl]prop-2-en-1-ol is C=C[C@H](O)[C@@H]1CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](/C=C\CCCCCCCC)O1.
What is the InChIKey of (1S)-1-[(2S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-[(Z)-dec-1-enyl]oxan-2-yl]prop-2-en-1-ol?
The InChIKey is FOPJEVBEWCCIGI-KPQMPYEVSA-N. The full InChI is InChI=1S/C24H46O3Si/c1-8-10-11-12-13-14-15-16-17-22-23(27-28(6,7)24(3,4)5)19-18-21(26-22)20(25)9-2/h9,16-17,20-23,25H,2,8,10-15,18-19H2,1,3-7H3/b17-16-/t20-,21-,22-,23+/m0/s1.
What are the key properties of (1S)-1-[(2S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-[(Z)-dec-1-enyl]oxan-2-yl]prop-2-en-1-ol?
(1S)-1-[(2S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-[(Z)-dec-1-enyl]oxan-2-yl]prop-2-en-1-ol has a molecular weight of 410.72 g/mol, XLogP of 6.78, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-[(Z)-dec-1-enyl]oxan-2-yl]prop-2-en-1-ol is sourced from PubChem (CID 11047885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).