11-decyl-12-ethenyl-11-propyldocosane

C37H74 — CID 150010749

IUPAC11-decyl-12-ethenyl-11-propyldocosane
SMILESC=CC(CCCCCCCCCC)C(CCC)(CCCCCCCCCC)CCCCCCCCCC
InChIInChI=1S/C37H74/c1-6-11-14-17-20-23-26-29-32-36(10-5)37(33-9-4,34-30-27-24-21-18-15-12-7-2)35-31-28-25-22-19-16-13-8-3/h10,36H,5-9,11-35H2,1-4H3
InChIKeyDDFIVBMFAIJLJP-UHFFFAOYSA-N
MW519.00 g/mol
LogP14.17
Rot. Bonds31

About 11-decyl-12-ethenyl-11-propyldocosane

11-decyl-12-ethenyl-11-propyldocosane (PubChem CID 150010749) has the molecular formula C37H74 and a molecular weight of 519.00 g/mol. Its IUPAC name is 11-decyl-12-ethenyl-11-propyldocosane.

Molecular Properties

Compound Name11-decyl-12-ethenyl-11-propyldocosane
PubChem CID150010749
Molecular FormulaC37H74
Molecular Weight519.00 g/mol
Exact Mass518.58
IUPAC Name11-decyl-12-ethenyl-11-propyldocosane
SMILESC=CC(CCCCCCCCCC)C(CCC)(CCCCCCCCCC)CCCCCCCCCC
InChIInChI=1S/C37H74/c1-6-11-14-17-20-23-26-29-32-36(10-5)37(33-9-4,34-30-27-24-21-18-15-12-7-2)35-31-28-25-22-19-16-13-8-3/h10,36H,5-9,11-35H2,1-4H3
InChIKeyDDFIVBMFAIJLJP-UHFFFAOYSA-N
XLogP14.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds31
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.00
LogP ≤ 514.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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heptadec-1-en-3-ol
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3-ethenylnon-1-ene
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4,4,5-tripropylpentadec-6-ene
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ethane;9-ethenylheptadecane;octane
CID 168985515
(5R,6R)-5-ethenyl-5-propyldodecan-6-ol
CID 10354987
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Frequently Asked Questions

What is the IUPAC name of 11-decyl-12-ethenyl-11-propyldocosane?
The IUPAC name of 11-decyl-12-ethenyl-11-propyldocosane (CID 150010749) is 11-decyl-12-ethenyl-11-propyldocosane.
What is the SMILES notation for 11-decyl-12-ethenyl-11-propyldocosane?
The canonical SMILES for 11-decyl-12-ethenyl-11-propyldocosane is C=CC(CCCCCCCCCC)C(CCC)(CCCCCCCCCC)CCCCCCCCCC.
What is the InChIKey of 11-decyl-12-ethenyl-11-propyldocosane?
The InChIKey is DDFIVBMFAIJLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H74/c1-6-11-14-17-20-23-26-29-32-36(10-5)37(33-9-4,34-30-27-24-21-18-15-12-7-2)35-31-28-25-22-19-16-13-8-3/h10,36H,5-9,11-35H2,1-4H3.
What are the key properties of 11-decyl-12-ethenyl-11-propyldocosane?
11-decyl-12-ethenyl-11-propyldocosane has a molecular weight of 519.00 g/mol, XLogP of 14.17, 31 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11-decyl-12-ethenyl-11-propyldocosane is sourced from PubChem (CID 150010749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).