6-[(2Z)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-3-hydroxy-3,7-dimethyloct-6-enyl]-3,5-dihydroxy-4,6-bis(3-methylbut-2-enyl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one

C38H62O6Si — CID 135069374

IUPAC6-[(2Z)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-3-hydroxy-3,7-dimethyloct-6-enyl]-3,5-dihydroxy-4,6-bis(3-methylbut-2-enyl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one
SMILESCC(C)=CCCC(C)(O)/C(=C\CO[Si](C)(C)C(C)(C)C)CC1(CC=C(C)C)C(=O)C(C(=O)C(C)C)=C(O)C(CC=C(C)C)=C1O
InChIInChI=1S/C38H62O6Si/c1-25(2)16-15-21-37(12,43)29(20-23-44-45(13,14)36(9,10)11)24-38(22-19-27(5)6)34(41)30(18-17-26(3)4)33(40)31(35(38)42)32(39)28(7)8/h16-17,19-20,28,40-41,43H,15,18,21-24H2,1-14H3/b29-20-
InChIKeyLXLXDFXCZBOKFV-BRPDVVIDSA-N
MW642.99 g/mol
LogP9.95
Rot. Bonds15

About 6-[(2Z)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-3-hydroxy-3,7-dimethyloct-6-enyl]-3,5-dihydroxy-4,6-bis(3-methylbut-2-enyl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one

6-[(2Z)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-3-hydroxy-3,7-dimethyloct-6-enyl]-3,5-dihydroxy-4,6-bis(3-methylbut-2-enyl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one (PubChem CID 135069374) has the molecular formula C38H62O6Si and a molecular weight of 642.99 g/mol. Its IUPAC name is 6-[(2Z)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-3-hydroxy-3,7-dimethyloct-6-enyl]-3,5-dihydroxy-4,6-bis(3-methylbut-2-enyl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name6-[(2Z)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-3-hydroxy-3,7-dimethyloct-6-enyl]-3,5-dihydroxy-4,6-bis(3-methylbut-2-enyl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one
PubChem CID135069374
Molecular FormulaC38H62O6Si
Molecular Weight642.99 g/mol
Exact Mass642.43
IUPAC Name6-[(2Z)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-3-hydroxy-3,7-dimethyloct-6-enyl]-3,5-dihydroxy-4,6-bis(3-methylbut-2-enyl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one
SMILESCC(C)=CCCC(C)(O)/C(=C\CO[Si](C)(C)C(C)(C)C)CC1(CC=C(C)C)C(=O)C(C(=O)C(C)C)=C(O)C(CC=C(C)C)=C1O
InChIInChI=1S/C38H62O6Si/c1-25(2)16-15-21-37(12,43)29(20-23-44-45(13,14)36(9,10)11)24-38(22-19-27(5)6)34(41)30(18-17-26(3)4)33(40)31(35(38)42)32(39)28(7)8/h16-17,19-20,28,40-41,43H,15,18,21-24H2,1-14H3/b29-20-
InChIKeyLXLXDFXCZBOKFV-BRPDVVIDSA-N
XLogP9.95
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.99
LogP ≤ 59.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 6-[(2Z)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-3-hydroxy-3,7-dimethyloct-6-enyl]-3,5-dihydroxy-4,6-bis(3-methylbut-2-enyl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-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

Frequently Asked Questions

What is the IUPAC name of 6-[(2Z)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-3-hydroxy-3,7-dimethyloct-6-enyl]-3,5-dihydroxy-4,6-bis(3-methylbut-2-enyl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one?
The IUPAC name of 6-[(2Z)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-3-hydroxy-3,7-dimethyloct-6-enyl]-3,5-dihydroxy-4,6-bis(3-methylbut-2-enyl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one (CID 135069374) is 6-[(2Z)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-3-hydroxy-3,7-dimethyloct-6-enyl]-3,5-dihydroxy-4,6-bis(3-methylbut-2-enyl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one.
What is the SMILES notation for 6-[(2Z)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-3-hydroxy-3,7-dimethyloct-6-enyl]-3,5-dihydroxy-4,6-bis(3-methylbut-2-enyl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one?
The canonical SMILES for 6-[(2Z)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-3-hydroxy-3,7-dimethyloct-6-enyl]-3,5-dihydroxy-4,6-bis(3-methylbut-2-enyl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one is CC(C)=CCCC(C)(O)/C(=C\CO[Si](C)(C)C(C)(C)C)CC1(CC=C(C)C)C(=O)C(C(=O)C(C)C)=C(O)C(CC=C(C)C)=C1O.
What is the InChIKey of 6-[(2Z)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-3-hydroxy-3,7-dimethyloct-6-enyl]-3,5-dihydroxy-4,6-bis(3-methylbut-2-enyl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one?
The InChIKey is LXLXDFXCZBOKFV-BRPDVVIDSA-N. The full InChI is InChI=1S/C38H62O6Si/c1-25(2)16-15-21-37(12,43)29(20-23-44-45(13,14)36(9,10)11)24-38(22-19-27(5)6)34(41)30(18-17-26(3)4)33(40)31(35(38)42)32(39)28(7)8/h16-17,19-20,28,40-41,43H,15,18,21-24H2,1-14H3/b29-20-.
What are the key properties of 6-[(2Z)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-3-hydroxy-3,7-dimethyloct-6-enyl]-3,5-dihydroxy-4,6-bis(3-methylbut-2-enyl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one?
6-[(2Z)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-3-hydroxy-3,7-dimethyloct-6-enyl]-3,5-dihydroxy-4,6-bis(3-methylbut-2-enyl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one has a molecular weight of 642.99 g/mol, XLogP of 9.95, 15 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2Z)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-3-hydroxy-3,7-dimethyloct-6-enyl]-3,5-dihydroxy-4,6-bis(3-methylbut-2-enyl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 135069374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).