(Z,2S,5R)-3-methyl-1-[(2R)-oxiran-2-yl]-5-[tri(propan-2-yl)silyloxymethyl]hept-3-en-2-ol

C20H40O3Si — CID 11462450

IUPAC(Z,2S,5R)-3-methyl-1-[(2R)-oxiran-2-yl]-5-[tri(propan-2-yl)silyloxymethyl]hept-3-en-2-ol
SMILESCC[C@H](/C=C(/C)[C@@H](O)C[C@@H]1CO1)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H40O3Si/c1-9-18(10-17(8)20(21)11-19-13-22-19)12-23-24(14(2)3,15(4)5)16(6)7/h10,14-16,18-21H,9,11-13H2,1-8H3/b17-10-/t18-,19-,20+/m1/s1
InChIKeyDQDHDDCPLXSKAV-REJQWRQBSA-N
MW356.62 g/mol
LogP5.30
Rot. Bonds11

About (Z,2S,5R)-3-methyl-1-[(2R)-oxiran-2-yl]-5-[tri(propan-2-yl)silyloxymethyl]hept-3-en-2-ol

(Z,2S,5R)-3-methyl-1-[(2R)-oxiran-2-yl]-5-[tri(propan-2-yl)silyloxymethyl]hept-3-en-2-ol (PubChem CID 11462450) has the molecular formula C20H40O3Si and a molecular weight of 356.62 g/mol. Its IUPAC name is (Z,2S,5R)-3-methyl-1-[(2R)-oxiran-2-yl]-5-[tri(propan-2-yl)silyloxymethyl]hept-3-en-2-ol.

Molecular Properties

Compound Name(Z,2S,5R)-3-methyl-1-[(2R)-oxiran-2-yl]-5-[tri(propan-2-yl)silyloxymethyl]hept-3-en-2-ol
PubChem CID11462450
Molecular FormulaC20H40O3Si
Molecular Weight356.62 g/mol
Exact Mass356.27
IUPAC Name(Z,2S,5R)-3-methyl-1-[(2R)-oxiran-2-yl]-5-[tri(propan-2-yl)silyloxymethyl]hept-3-en-2-ol
SMILESCC[C@H](/C=C(/C)[C@@H](O)C[C@@H]1CO1)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H40O3Si/c1-9-18(10-17(8)20(21)11-19-13-22-19)12-23-24(14(2)3,15(4)5)16(6)7/h10,14-16,18-21H,9,11-13H2,1-8H3/b17-10-/t18-,19-,20+/m1/s1
InChIKeyDQDHDDCPLXSKAV-REJQWRQBSA-N
XLogP5.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.62
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (Z,2S,5R)-3-methyl-1-[(2R)-oxiran-2-yl]-5-[tri(propan-2-yl)silyloxymethyl]hept-3-en-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z,4S,5R,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylhept-2-en-1-ol
CID 10693252
(4E,6S,7Z)-1-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnona-4,7-dien-3-ol
CID 11381004
(2E,5E)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6,10-dimethylundeca-5,9-diene-1,3-diol
CID 11440071
(E,2R,5R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylhept-3-ene-1,5-diol
CID 14525995
(E,2R,3R)-2,4,6,6-tetramethyl-1-triethylsilyloxyhept-4-en-3-ol
CID 102289950
(Z,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylnon-2-en-1-ol
CID 122371221
(E,2R,3S,6S)-2,4,6-trimethyl-7-tri(propan-2-yl)silyloxyhept-4-ene-1,3-diol
CID 134863671
(E,2R,3S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyl-7-tri(propan-2-yl)silyloxyhept-4-en-3-ol
CID 134863673
(E,2R,3R,6R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylnon-4-en-3-ol
CID 134865998
tert-butyl-dimethyl-[(Z,2S,5R)-3-methyl-1-(oxiran-2-yl)-5-[tri(propan-2-yl)silyloxymethyl]hept-3-en-2-yl]oxysilane
CID 134878023
(E,2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4,6,6-tetramethylhept-4-en-3-ol
CID 134965208
(2E,4R,5R,7E)-1-[tert-butyl(dimethyl)silyl]oxy-2,4,7-trimethylnona-2,7-dien-5-ol
CID 135009298

Frequently Asked Questions

What is the IUPAC name of (Z,2S,5R)-3-methyl-1-[(2R)-oxiran-2-yl]-5-[tri(propan-2-yl)silyloxymethyl]hept-3-en-2-ol?
The IUPAC name of (Z,2S,5R)-3-methyl-1-[(2R)-oxiran-2-yl]-5-[tri(propan-2-yl)silyloxymethyl]hept-3-en-2-ol (CID 11462450) is (Z,2S,5R)-3-methyl-1-[(2R)-oxiran-2-yl]-5-[tri(propan-2-yl)silyloxymethyl]hept-3-en-2-ol.
What is the SMILES notation for (Z,2S,5R)-3-methyl-1-[(2R)-oxiran-2-yl]-5-[tri(propan-2-yl)silyloxymethyl]hept-3-en-2-ol?
The canonical SMILES for (Z,2S,5R)-3-methyl-1-[(2R)-oxiran-2-yl]-5-[tri(propan-2-yl)silyloxymethyl]hept-3-en-2-ol is CC[C@H](/C=C(/C)[C@@H](O)C[C@@H]1CO1)CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (Z,2S,5R)-3-methyl-1-[(2R)-oxiran-2-yl]-5-[tri(propan-2-yl)silyloxymethyl]hept-3-en-2-ol?
The InChIKey is DQDHDDCPLXSKAV-REJQWRQBSA-N. The full InChI is InChI=1S/C20H40O3Si/c1-9-18(10-17(8)20(21)11-19-13-22-19)12-23-24(14(2)3,15(4)5)16(6)7/h10,14-16,18-21H,9,11-13H2,1-8H3/b17-10-/t18-,19-,20+/m1/s1.
What are the key properties of (Z,2S,5R)-3-methyl-1-[(2R)-oxiran-2-yl]-5-[tri(propan-2-yl)silyloxymethyl]hept-3-en-2-ol?
(Z,2S,5R)-3-methyl-1-[(2R)-oxiran-2-yl]-5-[tri(propan-2-yl)silyloxymethyl]hept-3-en-2-ol has a molecular weight of 356.62 g/mol, XLogP of 5.30, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2S,5R)-3-methyl-1-[(2R)-oxiran-2-yl]-5-[tri(propan-2-yl)silyloxymethyl]hept-3-en-2-ol is sourced from PubChem (CID 11462450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).