17-prop-2-enyltetratriacontane

C37H74 — CID 173452630

IUPAC17-prop-2-enyltetratriacontane
SMILESC=CCC(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C37H74/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-37(34-6-3)35-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h6,37H,3-5,7-36H2,1-2H3
InChIKeyLEHBWZFJFPHEDR-UHFFFAOYSA-N
MW519.00 g/mol
LogP14.31
Rot. Bonds33

About 17-prop-2-enyltetratriacontane

17-prop-2-enyltetratriacontane (PubChem CID 173452630) has the molecular formula C37H74 and a molecular weight of 519.00 g/mol. Its IUPAC name is 17-prop-2-enyltetratriacontane.

Molecular Properties

Compound Name17-prop-2-enyltetratriacontane
PubChem CID173452630
Molecular FormulaC37H74
Molecular Weight519.00 g/mol
Exact Mass518.58
IUPAC Name17-prop-2-enyltetratriacontane
SMILESC=CCC(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C37H74/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-37(34-6-3)35-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h6,37H,3-5,7-36H2,1-2H3
InChIKeyLEHBWZFJFPHEDR-UHFFFAOYSA-N
XLogP14.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds33
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.00
LogP ≤ 514.31
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

4-prop-2-enylpentadec-1-ene
CID 54427529
icosyl(23-prop-2-enyloctatriacontyl)phosphane;vanadium
CID 20744672
5-prop-2-enyldodecanoic acid
CID 90887636
4-(propoxymethyl)dodec-1-ene
CID 71378580
(4S)-4-ethyloct-1-ene
CID 129373406
7-prop-2-enyldodec-4-ene
CID 173342323
3-prop-2-enylnonadecylbenzene
CID 173349260
7-pentyltridec-1-ene
CID 123620244
12-pentyltricosa-1,22-diene
CID 102409743
26-heptadecylnonapentacont-1-ene
CID 123445046
4-fluoropentadec-1-ene
CID 143980948
9-butyltetracosane;icosane;oct-1-ene
CID 159857155

Frequently Asked Questions

What is the IUPAC name of 17-prop-2-enyltetratriacontane?
The IUPAC name of 17-prop-2-enyltetratriacontane (CID 173452630) is 17-prop-2-enyltetratriacontane.
What is the SMILES notation for 17-prop-2-enyltetratriacontane?
The canonical SMILES for 17-prop-2-enyltetratriacontane is C=CCC(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC.
What is the InChIKey of 17-prop-2-enyltetratriacontane?
The InChIKey is LEHBWZFJFPHEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H74/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-37(34-6-3)35-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h6,37H,3-5,7-36H2,1-2H3.
What are the key properties of 17-prop-2-enyltetratriacontane?
17-prop-2-enyltetratriacontane has a molecular weight of 519.00 g/mol, XLogP of 14.31, 33 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 17-prop-2-enyltetratriacontane is sourced from PubChem (CID 173452630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).