2-[(2R,6S)-2-[tri(propan-2-yl)silyloxymethyl]-6-(trityloxymethyl)oxan-4-ylidene]ethanol

C37H50O4Si — CID 57368128

IUPAC2-[(2R,6S)-2-[tri(propan-2-yl)silyloxymethyl]-6-(trityloxymethyl)oxan-4-ylidene]ethanol
SMILESCC(C)[Si](OC[C@H]1CC(=CCO)C[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O1)(C(C)C)C(C)C
InChIInChI=1S/C37H50O4Si/c1-28(2)42(29(3)4,30(5)6)40-27-36-25-31(22-23-38)24-35(41-36)26-39-37(32-16-10-7-11-17-32,33-18-12-8-13-19-33)34-20-14-9-15-21-34/h7-22,28-30,35-36,38H,23-27H2,1-6H3/t35-,36+/m0/s1
InChIKeyXMKFDEKPFIJQBV-MPQUPPDSSA-N
MW586.89 g/mol
LogP8.65
Rot. Bonds13

About 2-[(2R,6S)-2-[tri(propan-2-yl)silyloxymethyl]-6-(trityloxymethyl)oxan-4-ylidene]ethanol

2-[(2R,6S)-2-[tri(propan-2-yl)silyloxymethyl]-6-(trityloxymethyl)oxan-4-ylidene]ethanol (PubChem CID 57368128) has the molecular formula C37H50O4Si and a molecular weight of 586.89 g/mol. Its IUPAC name is 2-[(2R,6S)-2-[tri(propan-2-yl)silyloxymethyl]-6-(trityloxymethyl)oxan-4-ylidene]ethanol.

Molecular Properties

Compound Name2-[(2R,6S)-2-[tri(propan-2-yl)silyloxymethyl]-6-(trityloxymethyl)oxan-4-ylidene]ethanol
PubChem CID57368128
Molecular FormulaC37H50O4Si
Molecular Weight586.89 g/mol
Exact Mass586.35
IUPAC Name2-[(2R,6S)-2-[tri(propan-2-yl)silyloxymethyl]-6-(trityloxymethyl)oxan-4-ylidene]ethanol
SMILESCC(C)[Si](OC[C@H]1CC(=CCO)C[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O1)(C(C)C)C(C)C
InChIInChI=1S/C37H50O4Si/c1-28(2)42(29(3)4,30(5)6)40-27-36-25-31(22-23-38)24-35(41-36)26-39-37(32-16-10-7-11-17-32,33-18-12-8-13-19-33)34-20-14-9-15-21-34/h7-22,28-30,35-36,38H,23-27H2,1-6H3/t35-,36+/m0/s1
InChIKeyXMKFDEKPFIJQBV-MPQUPPDSSA-N
XLogP8.65
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.89
LogP ≤ 58.65
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': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 2-[(2R,6S)-2-[tri(propan-2-yl)silyloxymethyl]-6-(trityloxymethyl)oxan-4-ylidene]ethanol 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

(2R,3R,5R)-2-methoxy-5-(trityloxymethyl)oxolan-3-ol
CID 178184681
(5R)-3,3-difluoro-5-(trityloxymethyl)oxolan-2-ol
CID 123952191
(2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxirane
CID 71608137
3-[(2R,5R)-3-methylidene-5-(trityloxymethyl)oxolan-2-yl]propan-1-ol
CID 42631565
(2S,3S,5S)-3-fluoro-5-(trityloxymethyl)oxolan-2-ol
CID 14859660
[(2S,4S)-2-phenyl-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane
CID 16688961
[(1S,2R,3S)-2-phenyl-3-[tri(propan-2-yl)silyloxymethyl]cyclopropyl]methanol
CID 134999545
(3Z,5S)-3-(1-iodoethylidene)-5-(trityloxymethyl)oxolan-2-one
CID 102593831
(2R,6R)-2-methoxy-6-(trityloxymethyl)oxane
CID 56627536
4-(trityloxymethyl)trioxolane
CID 19758940
(E)-3-methyl-1-[(2R,3R,5R)-3-prop-1-en-2-yl-5-(trityloxymethyl)oxolan-2-yl]pent-3-en-2-ol
CID 10838517
(1S)-1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(trityloxymethyl)oxolan-2-yl]ethanol
CID 11285204

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6S)-2-[tri(propan-2-yl)silyloxymethyl]-6-(trityloxymethyl)oxan-4-ylidene]ethanol?
The IUPAC name of 2-[(2R,6S)-2-[tri(propan-2-yl)silyloxymethyl]-6-(trityloxymethyl)oxan-4-ylidene]ethanol (CID 57368128) is 2-[(2R,6S)-2-[tri(propan-2-yl)silyloxymethyl]-6-(trityloxymethyl)oxan-4-ylidene]ethanol.
What is the SMILES notation for 2-[(2R,6S)-2-[tri(propan-2-yl)silyloxymethyl]-6-(trityloxymethyl)oxan-4-ylidene]ethanol?
The canonical SMILES for 2-[(2R,6S)-2-[tri(propan-2-yl)silyloxymethyl]-6-(trityloxymethyl)oxan-4-ylidene]ethanol is CC(C)[Si](OC[C@H]1CC(=CCO)C[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O1)(C(C)C)C(C)C.
What is the InChIKey of 2-[(2R,6S)-2-[tri(propan-2-yl)silyloxymethyl]-6-(trityloxymethyl)oxan-4-ylidene]ethanol?
The InChIKey is XMKFDEKPFIJQBV-MPQUPPDSSA-N. The full InChI is InChI=1S/C37H50O4Si/c1-28(2)42(29(3)4,30(5)6)40-27-36-25-31(22-23-38)24-35(41-36)26-39-37(32-16-10-7-11-17-32,33-18-12-8-13-19-33)34-20-14-9-15-21-34/h7-22,28-30,35-36,38H,23-27H2,1-6H3/t35-,36+/m0/s1.
What are the key properties of 2-[(2R,6S)-2-[tri(propan-2-yl)silyloxymethyl]-6-(trityloxymethyl)oxan-4-ylidene]ethanol?
2-[(2R,6S)-2-[tri(propan-2-yl)silyloxymethyl]-6-(trityloxymethyl)oxan-4-ylidene]ethanol has a molecular weight of 586.89 g/mol, XLogP of 8.65, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6S)-2-[tri(propan-2-yl)silyloxymethyl]-6-(trityloxymethyl)oxan-4-ylidene]ethanol is sourced from PubChem (CID 57368128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).