heptyl 2-prop-2-enyl-3-propyl-2-propylsilyldecanoate

C26H52O2Si — CID 174788817

IUPACheptyl 2-prop-2-enyl-3-propyl-2-propylsilyldecanoate
SMILESC=CCC([SiH2]CCC)(C(=O)OCCCCCCC)C(CCC)CCCCCCC
InChIInChI=1S/C26H52O2Si/c1-6-11-13-15-17-20-24(19-8-3)26(21-9-4,29-23-10-5)25(27)28-22-18-16-14-12-7-2/h9,24H,4,6-8,10-23,29H2,1-3,5H3
InChIKeyNWFZLERHDJIACT-UHFFFAOYSA-N
MW424.79 g/mol
LogP8.01
Rot. Bonds21

About heptyl 2-prop-2-enyl-3-propyl-2-propylsilyldecanoate

heptyl 2-prop-2-enyl-3-propyl-2-propylsilyldecanoate (PubChem CID 174788817) has the molecular formula C26H52O2Si and a molecular weight of 424.79 g/mol. Its IUPAC name is heptyl 2-prop-2-enyl-3-propyl-2-propylsilyldecanoate.

Molecular Properties

Compound Nameheptyl 2-prop-2-enyl-3-propyl-2-propylsilyldecanoate
PubChem CID174788817
Molecular FormulaC26H52O2Si
Molecular Weight424.79 g/mol
Exact Mass424.37
IUPAC Nameheptyl 2-prop-2-enyl-3-propyl-2-propylsilyldecanoate
SMILESC=CCC([SiH2]CCC)(C(=O)OCCCCCCC)C(CCC)CCCCCCC
InChIInChI=1S/C26H52O2Si/c1-6-11-13-15-17-20-24(19-8-3)26(21-9-4,29-23-10-5)25(27)28-22-18-16-14-12-7-2/h9,24H,4,6-8,10-23,29H2,1-3,5H3
InChIKeyNWFZLERHDJIACT-UHFFFAOYSA-N
XLogP8.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.79
LogP ≤ 58.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of heptyl 2-prop-2-enyl-3-propyl-2-propylsilyldecanoate?
The IUPAC name of heptyl 2-prop-2-enyl-3-propyl-2-propylsilyldecanoate (CID 174788817) is heptyl 2-prop-2-enyl-3-propyl-2-propylsilyldecanoate.
What is the SMILES notation for heptyl 2-prop-2-enyl-3-propyl-2-propylsilyldecanoate?
The canonical SMILES for heptyl 2-prop-2-enyl-3-propyl-2-propylsilyldecanoate is C=CCC([SiH2]CCC)(C(=O)OCCCCCCC)C(CCC)CCCCCCC.
What is the InChIKey of heptyl 2-prop-2-enyl-3-propyl-2-propylsilyldecanoate?
The InChIKey is NWFZLERHDJIACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52O2Si/c1-6-11-13-15-17-20-24(19-8-3)26(21-9-4,29-23-10-5)25(27)28-22-18-16-14-12-7-2/h9,24H,4,6-8,10-23,29H2,1-3,5H3.
What are the key properties of heptyl 2-prop-2-enyl-3-propyl-2-propylsilyldecanoate?
heptyl 2-prop-2-enyl-3-propyl-2-propylsilyldecanoate has a molecular weight of 424.79 g/mol, XLogP of 8.01, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for heptyl 2-prop-2-enyl-3-propyl-2-propylsilyldecanoate is sourced from PubChem (CID 174788817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).