(E)-6-[2-[(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-1-enyl]-5-methoxyoxolan-3-yl]-4-methylhex-3-en-1-ol

C24H46O4Si — CID 140810757

IUPAC(E)-6-[2-[(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-1-enyl]-5-methoxyoxolan-3-yl]-4-methylhex-3-en-1-ol
SMILESCOC1CC(CC/C(C)=C/CCO)C(/C=C(\C)CCCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C24H46O4Si/c1-19(11-9-15-25)13-14-21-18-23(26-6)28-22(21)17-20(2)12-10-16-27-29(7,8)24(3,4)5/h11,17,21-23,25H,9-10,12-16,18H2,1-8H3/b19-11+,20-17+
InChIKeyIHNMCBBHVZMWLK-HPCQEULDSA-N
MW426.71 g/mol
LogP6.22
Rot. Bonds12

About (E)-6-[2-[(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-1-enyl]-5-methoxyoxolan-3-yl]-4-methylhex-3-en-1-ol

(E)-6-[2-[(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-1-enyl]-5-methoxyoxolan-3-yl]-4-methylhex-3-en-1-ol (PubChem CID 140810757) has the molecular formula C24H46O4Si and a molecular weight of 426.71 g/mol. Its IUPAC name is (E)-6-[2-[(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-1-enyl]-5-methoxyoxolan-3-yl]-4-methylhex-3-en-1-ol.

Molecular Properties

Compound Name(E)-6-[2-[(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-1-enyl]-5-methoxyoxolan-3-yl]-4-methylhex-3-en-1-ol
PubChem CID140810757
Molecular FormulaC24H46O4Si
Molecular Weight426.71 g/mol
Exact Mass426.32
IUPAC Name(E)-6-[2-[(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-1-enyl]-5-methoxyoxolan-3-yl]-4-methylhex-3-en-1-ol
SMILESCOC1CC(CC/C(C)=C/CCO)C(/C=C(\C)CCCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C24H46O4Si/c1-19(11-9-15-25)13-14-21-18-23(26-6)28-22(21)17-20(2)12-10-16-27-29(7,8)24(3,4)5/h11,17,21-23,25H,9-10,12-16,18H2,1-8H3/b19-11+,20-17+
InChIKeyIHNMCBBHVZMWLK-HPCQEULDSA-N
XLogP6.22
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.71
LogP ≤ 56.22
H-Bond Donors ≤ 51
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-6-[2-[(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-1-enyl]-5-methoxyoxolan-3-yl]-4-methylhex-3-en-1-ol?
The IUPAC name of (E)-6-[2-[(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-1-enyl]-5-methoxyoxolan-3-yl]-4-methylhex-3-en-1-ol (CID 140810757) is (E)-6-[2-[(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-1-enyl]-5-methoxyoxolan-3-yl]-4-methylhex-3-en-1-ol.
What is the SMILES notation for (E)-6-[2-[(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-1-enyl]-5-methoxyoxolan-3-yl]-4-methylhex-3-en-1-ol?
The canonical SMILES for (E)-6-[2-[(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-1-enyl]-5-methoxyoxolan-3-yl]-4-methylhex-3-en-1-ol is COC1CC(CC/C(C)=C/CCO)C(/C=C(\C)CCCO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of (E)-6-[2-[(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-1-enyl]-5-methoxyoxolan-3-yl]-4-methylhex-3-en-1-ol?
The InChIKey is IHNMCBBHVZMWLK-HPCQEULDSA-N. The full InChI is InChI=1S/C24H46O4Si/c1-19(11-9-15-25)13-14-21-18-23(26-6)28-22(21)17-20(2)12-10-16-27-29(7,8)24(3,4)5/h11,17,21-23,25H,9-10,12-16,18H2,1-8H3/b19-11+,20-17+.
What are the key properties of (E)-6-[2-[(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-1-enyl]-5-methoxyoxolan-3-yl]-4-methylhex-3-en-1-ol?
(E)-6-[2-[(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-1-enyl]-5-methoxyoxolan-3-yl]-4-methylhex-3-en-1-ol has a molecular weight of 426.71 g/mol, XLogP of 6.22, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-[2-[(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-1-enyl]-5-methoxyoxolan-3-yl]-4-methylhex-3-en-1-ol is sourced from PubChem (CID 140810757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).