3,7-dimethyloct-6-enyl 5-[[[5-(3,7-dimethyloct-6-enoxy)-5-oxopentyl]-dimethylsilyl]oxy-dimethylsilyl]pentanoate

C34H66O5Si2 — CID 15847289

IUPAC3,7-dimethyloct-6-enyl 5-[[[5-(3,7-dimethyloct-6-enoxy)-5-oxopentyl]-dimethylsilyl]oxy-dimethylsilyl]pentanoate
SMILESCC(C)=CCCC(C)CCOC(=O)CCCC[Si](C)(C)O[Si](C)(C)CCCCC(=O)OCCC(C)CCC=C(C)C
InChIInChI=1S/C34H66O5Si2/c1-29(2)17-15-19-31(5)23-25-37-33(35)21-11-13-27-40(7,8)39-41(9,10)28-14-12-22-34(36)38-26-24-32(6)20-16-18-30(3)4/h17-18,31-32H,11-16,19-28H2,1-10H3
InChIKeyYQVUZHJLNFZTPV-UHFFFAOYSA-N
MW611.07 g/mol
LogP10.39
Rot. Bonds24

About 3,7-dimethyloct-6-enyl 5-[[[5-(3,7-dimethyloct-6-enoxy)-5-oxopentyl]-dimethylsilyl]oxy-dimethylsilyl]pentanoate

3,7-dimethyloct-6-enyl 5-[[[5-(3,7-dimethyloct-6-enoxy)-5-oxopentyl]-dimethylsilyl]oxy-dimethylsilyl]pentanoate (PubChem CID 15847289) has the molecular formula C34H66O5Si2 and a molecular weight of 611.07 g/mol. Its IUPAC name is 3,7-dimethyloct-6-enyl 5-[[[5-(3,7-dimethyloct-6-enoxy)-5-oxopentyl]-dimethylsilyl]oxy-dimethylsilyl]pentanoate.

Molecular Properties

Compound Name3,7-dimethyloct-6-enyl 5-[[[5-(3,7-dimethyloct-6-enoxy)-5-oxopentyl]-dimethylsilyl]oxy-dimethylsilyl]pentanoate
PubChem CID15847289
Molecular FormulaC34H66O5Si2
Molecular Weight611.07 g/mol
Exact Mass610.44
IUPAC Name3,7-dimethyloct-6-enyl 5-[[[5-(3,7-dimethyloct-6-enoxy)-5-oxopentyl]-dimethylsilyl]oxy-dimethylsilyl]pentanoate
SMILESCC(C)=CCCC(C)CCOC(=O)CCCC[Si](C)(C)O[Si](C)(C)CCCCC(=O)OCCC(C)CCC=C(C)C
InChIInChI=1S/C34H66O5Si2/c1-29(2)17-15-19-31(5)23-25-37-33(35)21-11-13-27-40(7,8)39-41(9,10)28-14-12-22-34(36)38-26-24-32(6)20-16-18-30(3)4/h17-18,31-32H,11-16,19-28H2,1-10H3
InChIKeyYQVUZHJLNFZTPV-UHFFFAOYSA-N
XLogP10.39
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds24
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.07
LogP ≤ 510.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 3,7-dimethyloct-6-enyl 5-[[[5-(3,7-dimethyloct-6-enoxy)-5-oxopentyl]-dimethylsilyl]oxy-dimethylsilyl]pentanoate 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 3,7-dimethyloct-6-enyl 5-[[[5-(3,7-dimethyloct-6-enoxy)-5-oxopentyl]-dimethylsilyl]oxy-dimethylsilyl]pentanoate?
The IUPAC name of 3,7-dimethyloct-6-enyl 5-[[[5-(3,7-dimethyloct-6-enoxy)-5-oxopentyl]-dimethylsilyl]oxy-dimethylsilyl]pentanoate (CID 15847289) is 3,7-dimethyloct-6-enyl 5-[[[5-(3,7-dimethyloct-6-enoxy)-5-oxopentyl]-dimethylsilyl]oxy-dimethylsilyl]pentanoate.
What is the SMILES notation for 3,7-dimethyloct-6-enyl 5-[[[5-(3,7-dimethyloct-6-enoxy)-5-oxopentyl]-dimethylsilyl]oxy-dimethylsilyl]pentanoate?
The canonical SMILES for 3,7-dimethyloct-6-enyl 5-[[[5-(3,7-dimethyloct-6-enoxy)-5-oxopentyl]-dimethylsilyl]oxy-dimethylsilyl]pentanoate is CC(C)=CCCC(C)CCOC(=O)CCCC[Si](C)(C)O[Si](C)(C)CCCCC(=O)OCCC(C)CCC=C(C)C.
What is the InChIKey of 3,7-dimethyloct-6-enyl 5-[[[5-(3,7-dimethyloct-6-enoxy)-5-oxopentyl]-dimethylsilyl]oxy-dimethylsilyl]pentanoate?
The InChIKey is YQVUZHJLNFZTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H66O5Si2/c1-29(2)17-15-19-31(5)23-25-37-33(35)21-11-13-27-40(7,8)39-41(9,10)28-14-12-22-34(36)38-26-24-32(6)20-16-18-30(3)4/h17-18,31-32H,11-16,19-28H2,1-10H3.
What are the key properties of 3,7-dimethyloct-6-enyl 5-[[[5-(3,7-dimethyloct-6-enoxy)-5-oxopentyl]-dimethylsilyl]oxy-dimethylsilyl]pentanoate?
3,7-dimethyloct-6-enyl 5-[[[5-(3,7-dimethyloct-6-enoxy)-5-oxopentyl]-dimethylsilyl]oxy-dimethylsilyl]pentanoate has a molecular weight of 611.07 g/mol, XLogP of 10.39, 24 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyloct-6-enyl 5-[[[5-(3,7-dimethyloct-6-enoxy)-5-oxopentyl]-dimethylsilyl]oxy-dimethylsilyl]pentanoate is sourced from PubChem (CID 15847289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).