(E)-1-[(2S,3S)-3-[(1R)-1,2-bis[tri(propan-2-yl)silyloxy]ethyl]-2-methyloxiran-2-yl]-2-methylpent-2-en-1-ol

C29H60O4Si2 — CID 101244418

IUPAC(E)-1-[(2S,3S)-3-[(1R)-1,2-bis[tri(propan-2-yl)silyloxy]ethyl]-2-methyloxiran-2-yl]-2-methylpent-2-en-1-ol
SMILESCC/C=C(\C)C(O)[C@]1(C)O[C@H]1[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C29H60O4Si2/c1-16-17-25(14)27(30)29(15)28(32-29)26(33-35(22(8)9,23(10)11)24(12)13)18-31-34(19(2)3,20(4)5)21(6)7/h17,19-24,26-28,30H,16,18H2,1-15H3/b25-17+/t26-,27?,28+,29+/m1/s1
InChIKeySRUVFZUKLWKCOW-QJJRGQCDSA-N
MW528.97 g/mol
LogP8.61
Rot. Bonds15

About (E)-1-[(2S,3S)-3-[(1R)-1,2-bis[tri(propan-2-yl)silyloxy]ethyl]-2-methyloxiran-2-yl]-2-methylpent-2-en-1-ol

(E)-1-[(2S,3S)-3-[(1R)-1,2-bis[tri(propan-2-yl)silyloxy]ethyl]-2-methyloxiran-2-yl]-2-methylpent-2-en-1-ol (PubChem CID 101244418) has the molecular formula C29H60O4Si2 and a molecular weight of 528.97 g/mol. Its IUPAC name is (E)-1-[(2S,3S)-3-[(1R)-1,2-bis[tri(propan-2-yl)silyloxy]ethyl]-2-methyloxiran-2-yl]-2-methylpent-2-en-1-ol.

Molecular Properties

Compound Name(E)-1-[(2S,3S)-3-[(1R)-1,2-bis[tri(propan-2-yl)silyloxy]ethyl]-2-methyloxiran-2-yl]-2-methylpent-2-en-1-ol
PubChem CID101244418
Molecular FormulaC29H60O4Si2
Molecular Weight528.97 g/mol
Exact Mass528.40
IUPAC Name(E)-1-[(2S,3S)-3-[(1R)-1,2-bis[tri(propan-2-yl)silyloxy]ethyl]-2-methyloxiran-2-yl]-2-methylpent-2-en-1-ol
SMILESCC/C=C(\C)C(O)[C@]1(C)O[C@H]1[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C29H60O4Si2/c1-16-17-25(14)27(30)29(15)28(32-29)26(33-35(22(8)9,23(10)11)24(12)13)18-31-34(19(2)3,20(4)5)21(6)7/h17,19-24,26-28,30H,16,18H2,1-15H3/b25-17+/t26-,27?,28+,29+/m1/s1
InChIKeySRUVFZUKLWKCOW-QJJRGQCDSA-N
XLogP8.61
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.97
LogP ≤ 58.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (E)-1-[(2S,3S)-3-[(1R)-1,2-bis[tri(propan-2-yl)silyloxy]ethyl]-2-methyloxiran-2-yl]-2-methylpent-2-en-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-1-[(2S,3S)-3-[(1R)-1,2-bis[tri(propan-2-yl)silyloxy]ethyl]-2-methyloxiran-2-yl]-2-methylpent-2-en-1-ol?
The IUPAC name of (E)-1-[(2S,3S)-3-[(1R)-1,2-bis[tri(propan-2-yl)silyloxy]ethyl]-2-methyloxiran-2-yl]-2-methylpent-2-en-1-ol (CID 101244418) is (E)-1-[(2S,3S)-3-[(1R)-1,2-bis[tri(propan-2-yl)silyloxy]ethyl]-2-methyloxiran-2-yl]-2-methylpent-2-en-1-ol.
What is the SMILES notation for (E)-1-[(2S,3S)-3-[(1R)-1,2-bis[tri(propan-2-yl)silyloxy]ethyl]-2-methyloxiran-2-yl]-2-methylpent-2-en-1-ol?
The canonical SMILES for (E)-1-[(2S,3S)-3-[(1R)-1,2-bis[tri(propan-2-yl)silyloxy]ethyl]-2-methyloxiran-2-yl]-2-methylpent-2-en-1-ol is CC/C=C(\C)C(O)[C@]1(C)O[C@H]1[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (E)-1-[(2S,3S)-3-[(1R)-1,2-bis[tri(propan-2-yl)silyloxy]ethyl]-2-methyloxiran-2-yl]-2-methylpent-2-en-1-ol?
The InChIKey is SRUVFZUKLWKCOW-QJJRGQCDSA-N. The full InChI is InChI=1S/C29H60O4Si2/c1-16-17-25(14)27(30)29(15)28(32-29)26(33-35(22(8)9,23(10)11)24(12)13)18-31-34(19(2)3,20(4)5)21(6)7/h17,19-24,26-28,30H,16,18H2,1-15H3/b25-17+/t26-,27?,28+,29+/m1/s1.
What are the key properties of (E)-1-[(2S,3S)-3-[(1R)-1,2-bis[tri(propan-2-yl)silyloxy]ethyl]-2-methyloxiran-2-yl]-2-methylpent-2-en-1-ol?
(E)-1-[(2S,3S)-3-[(1R)-1,2-bis[tri(propan-2-yl)silyloxy]ethyl]-2-methyloxiran-2-yl]-2-methylpent-2-en-1-ol has a molecular weight of 528.97 g/mol, XLogP of 8.61, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[(2S,3S)-3-[(1R)-1,2-bis[tri(propan-2-yl)silyloxy]ethyl]-2-methyloxiran-2-yl]-2-methylpent-2-en-1-ol is sourced from PubChem (CID 101244418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).