(3R,5R)-5-[2-[(5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]ethyl]-3-methyloxolan-2-one;(3R,5R)-5-[2-[(5S)-5-(3-hydroxypropyl)-3-methylideneoxolan-2-yl]ethyl]-3-methyloxolan-2-one

C46H66O8Si — CID 161322372

IUPAC(3R,5R)-5-[2-[(5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]ethyl]-3-methyloxolan-2-one;(3R,5R)-5-[2-[(5S)-5-(3-hydroxypropyl)-3-methylideneoxolan-2-yl]ethyl]-3-methyloxolan-2-one
SMILESC=C1C[C@H](CCCO)OC1CC[C@@H]1C[C@@H](C)C(=O)O1.C=C1C[C@H](CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC1CC[C@@H]1C[C@@H](C)C(=O)O1
InChIInChI=1S/C31H42O4Si.C15H24O4/c1-23-21-25(34-29(23)19-18-26-22-24(2)30(32)35-26)13-12-20-33-36(31(3,4)5,27-14-8-6-9-15-27)28-16-10-7-11-17-28;1-10-8-12(4-3-7-16)18-14(10)6-5-13-9-11(2)15(17)19-13/h6-11,14-17,24-26,29H,1,12-13,18-22H2,2-5H3;11-14,16H,1,3-9H2,2H3/t24-,25+,26-,29?;11-,12+,13-,14?/m11/s1
InChIKeyVKHUZDMTXZLUMI-FZWYCHGSSA-N
MW775.11 g/mol
LogP7.99
Rot. Bonds16

About (3R,5R)-5-[2-[(5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]ethyl]-3-methyloxolan-2-one;(3R,5R)-5-[2-[(5S)-5-(3-hydroxypropyl)-3-methylideneoxolan-2-yl]ethyl]-3-methyloxolan-2-one

(3R,5R)-5-[2-[(5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]ethyl]-3-methyloxolan-2-one;(3R,5R)-5-[2-[(5S)-5-(3-hydroxypropyl)-3-methylideneoxolan-2-yl]ethyl]-3-methyloxolan-2-one (PubChem CID 161322372) has the molecular formula C46H66O8Si and a molecular weight of 775.11 g/mol. Its IUPAC name is (3R,5R)-5-[2-[(5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]ethyl]-3-methyloxolan-2-one;(3R,5R)-5-[2-[(5S)-5-(3-hydroxypropyl)-3-methylideneoxolan-2-yl]ethyl]-3-methyloxolan-2-one.

Molecular Properties

Compound Name(3R,5R)-5-[2-[(5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]ethyl]-3-methyloxolan-2-one;(3R,5R)-5-[2-[(5S)-5-(3-hydroxypropyl)-3-methylideneoxolan-2-yl]ethyl]-3-methyloxolan-2-one
PubChem CID161322372
Molecular FormulaC46H66O8Si
Molecular Weight775.11 g/mol
Exact Mass774.45
IUPAC Name(3R,5R)-5-[2-[(5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]ethyl]-3-methyloxolan-2-one;(3R,5R)-5-[2-[(5S)-5-(3-hydroxypropyl)-3-methylideneoxolan-2-yl]ethyl]-3-methyloxolan-2-one
SMILESC=C1C[C@H](CCCO)OC1CC[C@@H]1C[C@@H](C)C(=O)O1.C=C1C[C@H](CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC1CC[C@@H]1C[C@@H](C)C(=O)O1
InChIInChI=1S/C31H42O4Si.C15H24O4/c1-23-21-25(34-29(23)19-18-26-22-24(2)30(32)35-26)13-12-20-33-36(31(3,4)5,27-14-8-6-9-15-27)28-16-10-7-11-17-28;1-10-8-12(4-3-7-16)18-14(10)6-5-13-9-11(2)15(17)19-13/h6-11,14-17,24-26,29H,1,12-13,18-22H2,2-5H3;11-14,16H,1,3-9H2,2H3/t24-,25+,26-,29?;11-,12+,13-,14?/m11/s1
InChIKeyVKHUZDMTXZLUMI-FZWYCHGSSA-N
XLogP7.99
TPSA100.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.11
LogP ≤ 57.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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'}

Analyze (3R,5R)-5-[2-[(5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]ethyl]-3-methyloxolan-2-one;(3R,5R)-5-[2-[(5S)-5-(3-hydroxypropyl)-3-methylideneoxolan-2-yl]ethyl]-3-methyloxolan-2-one 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 (3R,5R)-5-[2-[(5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]ethyl]-3-methyloxolan-2-one;(3R,5R)-5-[2-[(5S)-5-(3-hydroxypropyl)-3-methylideneoxolan-2-yl]ethyl]-3-methyloxolan-2-one?
The IUPAC name of (3R,5R)-5-[2-[(5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]ethyl]-3-methyloxolan-2-one;(3R,5R)-5-[2-[(5S)-5-(3-hydroxypropyl)-3-methylideneoxolan-2-yl]ethyl]-3-methyloxolan-2-one (CID 161322372) is (3R,5R)-5-[2-[(5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]ethyl]-3-methyloxolan-2-one;(3R,5R)-5-[2-[(5S)-5-(3-hydroxypropyl)-3-methylideneoxolan-2-yl]ethyl]-3-methyloxolan-2-one.
What is the SMILES notation for (3R,5R)-5-[2-[(5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]ethyl]-3-methyloxolan-2-one;(3R,5R)-5-[2-[(5S)-5-(3-hydroxypropyl)-3-methylideneoxolan-2-yl]ethyl]-3-methyloxolan-2-one?
The canonical SMILES for (3R,5R)-5-[2-[(5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]ethyl]-3-methyloxolan-2-one;(3R,5R)-5-[2-[(5S)-5-(3-hydroxypropyl)-3-methylideneoxolan-2-yl]ethyl]-3-methyloxolan-2-one is C=C1C[C@H](CCCO)OC1CC[C@@H]1C[C@@H](C)C(=O)O1.C=C1C[C@H](CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC1CC[C@@H]1C[C@@H](C)C(=O)O1.
What is the InChIKey of (3R,5R)-5-[2-[(5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]ethyl]-3-methyloxolan-2-one;(3R,5R)-5-[2-[(5S)-5-(3-hydroxypropyl)-3-methylideneoxolan-2-yl]ethyl]-3-methyloxolan-2-one?
The InChIKey is VKHUZDMTXZLUMI-FZWYCHGSSA-N. The full InChI is InChI=1S/C31H42O4Si.C15H24O4/c1-23-21-25(34-29(23)19-18-26-22-24(2)30(32)35-26)13-12-20-33-36(31(3,4)5,27-14-8-6-9-15-27)28-16-10-7-11-17-28;1-10-8-12(4-3-7-16)18-14(10)6-5-13-9-11(2)15(17)19-13/h6-11,14-17,24-26,29H,1,12-13,18-22H2,2-5H3;11-14,16H,1,3-9H2,2H3/t24-,25+,26-,29?;11-,12+,13-,14?/m11/s1.
What are the key properties of (3R,5R)-5-[2-[(5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]ethyl]-3-methyloxolan-2-one;(3R,5R)-5-[2-[(5S)-5-(3-hydroxypropyl)-3-methylideneoxolan-2-yl]ethyl]-3-methyloxolan-2-one?
(3R,5R)-5-[2-[(5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]ethyl]-3-methyloxolan-2-one;(3R,5R)-5-[2-[(5S)-5-(3-hydroxypropyl)-3-methylideneoxolan-2-yl]ethyl]-3-methyloxolan-2-one has a molecular weight of 775.11 g/mol, XLogP of 7.99, 16 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-[2-[(5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]ethyl]-3-methyloxolan-2-one;(3R,5R)-5-[2-[(5S)-5-(3-hydroxypropyl)-3-methylideneoxolan-2-yl]ethyl]-3-methyloxolan-2-one is sourced from PubChem (CID 161322372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).