(2,4-dimethylcyclohexa-2,4-dien-1-yl) (3S,6R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-4,4,6,8-tetramethyl-5-oxo-3-triethylsilyloxydec-9-enoate

C34H62O5Si2 — CID 140537687

IUPAC(2,4-dimethylcyclohexa-2,4-dien-1-yl) (3S,6R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-4,4,6,8-tetramethyl-5-oxo-3-triethylsilyloxydec-9-enoate
SMILESC=C[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)C(C)(C)[C@H](CC(=O)OC1CC=C(C)C=C1C)O[Si](CC)(CC)CC
InChIInChI=1S/C34H62O5Si2/c1-16-25(6)31(39-40(14,15)33(9,10)11)27(8)32(36)34(12,13)29(38-41(17-2,18-3)19-4)23-30(35)37-28-21-20-24(5)22-26(28)7/h16,20,22,25,27-29,31H,1,17-19,21,23H2,2-15H3/t25-,27+,28?,29-,31-/m0/s1
InChIKeyHGOOCXWTKBECPT-UKANLGETSA-N
MW607.04 g/mol
LogP9.42
Rot. Bonds16

About (2,4-dimethylcyclohexa-2,4-dien-1-yl) (3S,6R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-4,4,6,8-tetramethyl-5-oxo-3-triethylsilyloxydec-9-enoate

(2,4-dimethylcyclohexa-2,4-dien-1-yl) (3S,6R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-4,4,6,8-tetramethyl-5-oxo-3-triethylsilyloxydec-9-enoate (PubChem CID 140537687) has the molecular formula C34H62O5Si2 and a molecular weight of 607.04 g/mol. Its IUPAC name is (2,4-dimethylcyclohexa-2,4-dien-1-yl) (3S,6R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-4,4,6,8-tetramethyl-5-oxo-3-triethylsilyloxydec-9-enoate.

Molecular Properties

Compound Name(2,4-dimethylcyclohexa-2,4-dien-1-yl) (3S,6R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-4,4,6,8-tetramethyl-5-oxo-3-triethylsilyloxydec-9-enoate
PubChem CID140537687
Molecular FormulaC34H62O5Si2
Molecular Weight607.04 g/mol
Exact Mass606.41
IUPAC Name(2,4-dimethylcyclohexa-2,4-dien-1-yl) (3S,6R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-4,4,6,8-tetramethyl-5-oxo-3-triethylsilyloxydec-9-enoate
SMILESC=C[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)C(C)(C)[C@H](CC(=O)OC1CC=C(C)C=C1C)O[Si](CC)(CC)CC
InChIInChI=1S/C34H62O5Si2/c1-16-25(6)31(39-40(14,15)33(9,10)11)27(8)32(36)34(12,13)29(38-41(17-2,18-3)19-4)23-30(35)37-28-21-20-24(5)22-26(28)7/h16,20,22,25,27-29,31H,1,17-19,21,23H2,2-15H3/t25-,27+,28?,29-,31-/m0/s1
InChIKeyHGOOCXWTKBECPT-UKANLGETSA-N
XLogP9.42
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.04
LogP ≤ 59.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2,4-dimethylcyclohexa-2,4-dien-1-yl) (3S,6R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-4,4,6,8-tetramethyl-5-oxo-3-triethylsilyloxydec-9-enoate 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 (2,4-dimethylcyclohexa-2,4-dien-1-yl) (3S,6R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-4,4,6,8-tetramethyl-5-oxo-3-triethylsilyloxydec-9-enoate?
The IUPAC name of (2,4-dimethylcyclohexa-2,4-dien-1-yl) (3S,6R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-4,4,6,8-tetramethyl-5-oxo-3-triethylsilyloxydec-9-enoate (CID 140537687) is (2,4-dimethylcyclohexa-2,4-dien-1-yl) (3S,6R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-4,4,6,8-tetramethyl-5-oxo-3-triethylsilyloxydec-9-enoate.
What is the SMILES notation for (2,4-dimethylcyclohexa-2,4-dien-1-yl) (3S,6R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-4,4,6,8-tetramethyl-5-oxo-3-triethylsilyloxydec-9-enoate?
The canonical SMILES for (2,4-dimethylcyclohexa-2,4-dien-1-yl) (3S,6R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-4,4,6,8-tetramethyl-5-oxo-3-triethylsilyloxydec-9-enoate is C=C[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)C(C)(C)[C@H](CC(=O)OC1CC=C(C)C=C1C)O[Si](CC)(CC)CC.
What is the InChIKey of (2,4-dimethylcyclohexa-2,4-dien-1-yl) (3S,6R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-4,4,6,8-tetramethyl-5-oxo-3-triethylsilyloxydec-9-enoate?
The InChIKey is HGOOCXWTKBECPT-UKANLGETSA-N. The full InChI is InChI=1S/C34H62O5Si2/c1-16-25(6)31(39-40(14,15)33(9,10)11)27(8)32(36)34(12,13)29(38-41(17-2,18-3)19-4)23-30(35)37-28-21-20-24(5)22-26(28)7/h16,20,22,25,27-29,31H,1,17-19,21,23H2,2-15H3/t25-,27+,28?,29-,31-/m0/s1.
What are the key properties of (2,4-dimethylcyclohexa-2,4-dien-1-yl) (3S,6R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-4,4,6,8-tetramethyl-5-oxo-3-triethylsilyloxydec-9-enoate?
(2,4-dimethylcyclohexa-2,4-dien-1-yl) (3S,6R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-4,4,6,8-tetramethyl-5-oxo-3-triethylsilyloxydec-9-enoate has a molecular weight of 607.04 g/mol, XLogP of 9.42, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylcyclohexa-2,4-dien-1-yl) (3S,6R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-4,4,6,8-tetramethyl-5-oxo-3-triethylsilyloxydec-9-enoate is sourced from PubChem (CID 140537687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).