(4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-3-methyl-5-(oxan-2-yloxy)pent-3-en-1-ynyl]-4-(oxan-2-yloxy)cyclopent-2-en-1-one

C27H42O6Si — CID 139616254

IUPAC(4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-3-methyl-5-(oxan-2-yloxy)pent-3-en-1-ynyl]-4-(oxan-2-yloxy)cyclopent-2-en-1-one
SMILESC/C(C#CC1=C[C@@H](OC2CCCCO2)[C@H](O[Si](C)(C)C(C)(C)C)C1=O)=C/COC1CCCCO1
InChIInChI=1S/C27H42O6Si/c1-20(15-18-31-23-11-7-9-16-29-23)13-14-21-19-22(32-24-12-8-10-17-30-24)26(25(21)28)33-34(5,6)27(2,3)4/h15,19,22-24,26H,7-12,16-18H2,1-6H3/b20-15-/t22-,23?,24?,26+/m1/s1
InChIKeyNZAHNKROAIUCMA-AKFPSFHWSA-N
MW490.71 g/mol
LogP5.29
Rot. Bonds7

About (4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-3-methyl-5-(oxan-2-yloxy)pent-3-en-1-ynyl]-4-(oxan-2-yloxy)cyclopent-2-en-1-one

(4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-3-methyl-5-(oxan-2-yloxy)pent-3-en-1-ynyl]-4-(oxan-2-yloxy)cyclopent-2-en-1-one (PubChem CID 139616254) has the molecular formula C27H42O6Si and a molecular weight of 490.71 g/mol. Its IUPAC name is (4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-3-methyl-5-(oxan-2-yloxy)pent-3-en-1-ynyl]-4-(oxan-2-yloxy)cyclopent-2-en-1-one.

Molecular Properties

Compound Name(4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-3-methyl-5-(oxan-2-yloxy)pent-3-en-1-ynyl]-4-(oxan-2-yloxy)cyclopent-2-en-1-one
PubChem CID139616254
Molecular FormulaC27H42O6Si
Molecular Weight490.71 g/mol
Exact Mass490.28
IUPAC Name(4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-3-methyl-5-(oxan-2-yloxy)pent-3-en-1-ynyl]-4-(oxan-2-yloxy)cyclopent-2-en-1-one
SMILESC/C(C#CC1=C[C@@H](OC2CCCCO2)[C@H](O[Si](C)(C)C(C)(C)C)C1=O)=C/COC1CCCCO1
InChIInChI=1S/C27H42O6Si/c1-20(15-18-31-23-11-7-9-16-29-23)13-14-21-19-22(32-24-12-8-10-17-30-24)26(25(21)28)33-34(5,6)27(2,3)4/h15,19,22-24,26H,7-12,16-18H2,1-6H3/b20-15-/t22-,23?,24?,26+/m1/s1
InChIKeyNZAHNKROAIUCMA-AKFPSFHWSA-N
XLogP5.29
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.71
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-3-methyl-5-(oxan-2-yloxy)pent-3-en-1-ynyl]-4-(oxan-2-yloxy)cyclopent-2-en-1-one 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

(4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(Z)-3-methyl-5-(oxan-2-yloxy)pent-3-en-1-ynyl]cyclopent-2-en-1-one
CID 10875028

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-3-methyl-5-(oxan-2-yloxy)pent-3-en-1-ynyl]-4-(oxan-2-yloxy)cyclopent-2-en-1-one?
The IUPAC name of (4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-3-methyl-5-(oxan-2-yloxy)pent-3-en-1-ynyl]-4-(oxan-2-yloxy)cyclopent-2-en-1-one (CID 139616254) is (4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-3-methyl-5-(oxan-2-yloxy)pent-3-en-1-ynyl]-4-(oxan-2-yloxy)cyclopent-2-en-1-one.
What is the SMILES notation for (4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-3-methyl-5-(oxan-2-yloxy)pent-3-en-1-ynyl]-4-(oxan-2-yloxy)cyclopent-2-en-1-one?
The canonical SMILES for (4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-3-methyl-5-(oxan-2-yloxy)pent-3-en-1-ynyl]-4-(oxan-2-yloxy)cyclopent-2-en-1-one is C/C(C#CC1=C[C@@H](OC2CCCCO2)[C@H](O[Si](C)(C)C(C)(C)C)C1=O)=C/COC1CCCCO1.
What is the InChIKey of (4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-3-methyl-5-(oxan-2-yloxy)pent-3-en-1-ynyl]-4-(oxan-2-yloxy)cyclopent-2-en-1-one?
The InChIKey is NZAHNKROAIUCMA-AKFPSFHWSA-N. The full InChI is InChI=1S/C27H42O6Si/c1-20(15-18-31-23-11-7-9-16-29-23)13-14-21-19-22(32-24-12-8-10-17-30-24)26(25(21)28)33-34(5,6)27(2,3)4/h15,19,22-24,26H,7-12,16-18H2,1-6H3/b20-15-/t22-,23?,24?,26+/m1/s1.
What are the key properties of (4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-3-methyl-5-(oxan-2-yloxy)pent-3-en-1-ynyl]-4-(oxan-2-yloxy)cyclopent-2-en-1-one?
(4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-3-methyl-5-(oxan-2-yloxy)pent-3-en-1-ynyl]-4-(oxan-2-yloxy)cyclopent-2-en-1-one has a molecular weight of 490.71 g/mol, XLogP of 5.29, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-3-methyl-5-(oxan-2-yloxy)pent-3-en-1-ynyl]-4-(oxan-2-yloxy)cyclopent-2-en-1-one is sourced from PubChem (CID 139616254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).