CID 86675876

C39H75O4Si — CID 86675876

IUPAC—
SMILESC=CC[Si](OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C39H75O4Si/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38(40)42-44(37-6-3)43-39(41)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h6H,3-5,7-37H2,1-2H3
InChIKeyVUAYXIHCYHEBQU-UHFFFAOYSA-N
MW636.11 g/mol
LogP13.27
Rot. Bonds36

About CID 86675876

CID 86675876 (PubChem CID 86675876) has the molecular formula C39H75O4Si and a molecular weight of 636.11 g/mol.

Molecular Properties

Compound NameCID 86675876
PubChem CID86675876
Molecular FormulaC39H75O4Si
Molecular Weight636.11 g/mol
Exact Mass635.54
IUPAC Name—
SMILESC=CC[Si](OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C39H75O4Si/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38(40)42-44(37-6-3)43-39(41)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h6H,3-5,7-37H2,1-2H3
InChIKeyVUAYXIHCYHEBQU-UHFFFAOYSA-N
XLogP13.27
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds36
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.11
LogP ≤ 513.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

prop-2-enyl pentadecanoate
CID 87531612
prop-2-enyl tridecanoate
CID 91752122
ethenyl octacosanoate
CID 54439588
ethenyl heptatriacontanoate
CID 139682782
ethenyl henpentacontanoate
CID 139683011
ethenyl tetracontanoate
CID 139682936
prop-2-enyl decaneperoxoate
CID 150777769
but-3-enyl heptanoate
CID 539056
formyl docosanoate
CID 87130713
formyl heptanoate
CID 57242473
ethenyl butanoate;ethenyl octadecanoate
CID 161122383
prop-2-enoyl tetradecanoate
CID 157201572

Frequently Asked Questions

What is the IUPAC name of CID 86675876?
The IUPAC name of CID 86675876 (CID 86675876) is not available.
What is the SMILES notation for CID 86675876?
The canonical SMILES for CID 86675876 is C=CC[Si](OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC.
What is the InChIKey of CID 86675876?
The InChIKey is VUAYXIHCYHEBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H75O4Si/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38(40)42-44(37-6-3)43-39(41)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h6H,3-5,7-37H2,1-2H3.
What are the key properties of CID 86675876?
CID 86675876 has a molecular weight of 636.11 g/mol, XLogP of 13.27, 36 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 86675876 is sourced from PubChem (CID 86675876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).