3-prop-2-enylnonadecylbenzene

C28H48 — CID 173349260

IUPAC3-prop-2-enylnonadecylbenzene
SMILESC=CCC(CCCCCCCCCCCCCCCC)CCc1ccccc1
InChIInChI=1S/C28H48/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-22-27(21-4-2)25-26-28-23-19-17-20-24-28/h4,17,19-20,23-24,27H,2-3,5-16,18,21-22,25-26H2,1H3
InChIKeyBTSLETHZDRJODZ-UHFFFAOYSA-N
MW384.69 g/mol
LogP9.68
Rot. Bonds20

About 3-prop-2-enylnonadecylbenzene

3-prop-2-enylnonadecylbenzene (PubChem CID 173349260) has the molecular formula C28H48 and a molecular weight of 384.69 g/mol. Its IUPAC name is 3-prop-2-enylnonadecylbenzene.

Molecular Properties

Compound Name3-prop-2-enylnonadecylbenzene
PubChem CID173349260
Molecular FormulaC28H48
Molecular Weight384.69 g/mol
Exact Mass384.38
IUPAC Name3-prop-2-enylnonadecylbenzene
SMILESC=CCC(CCCCCCCCCCCCCCCC)CCc1ccccc1
InChIInChI=1S/C28H48/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-22-27(21-4-2)25-26-28-23-19-17-20-24-28/h4,17,19-20,23-24,27H,2-3,5-16,18,21-22,25-26H2,1H3
InChIKeyBTSLETHZDRJODZ-UHFFFAOYSA-N
XLogP9.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.69
LogP ≤ 59.68
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

3-ethylundecylbenzene
CID 101046196
17-prop-2-enyltetratriacontane
CID 173452630
7-(2-phenylethyl)hexadec-9-enoic acid
CID 162961291
4-prop-2-enylpentadec-1-ene
CID 54427529
2-benzyltetradecylbenzene
CID 22920205
ethenylsilane;heptylbenzene
CID 174982410
methyl (3R)-3-(2-phenylethyl)decanoate
CID 102157695
6-benzyldecylbenzene
CID 54156815
octylbenzene
CID 16607
octacosylbenzene
CID 14228596
pentadecane;pentadecylbenzene
CID 174970881
octaoctacontylbenzene
CID 165359374

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enylnonadecylbenzene?
The IUPAC name of 3-prop-2-enylnonadecylbenzene (CID 173349260) is 3-prop-2-enylnonadecylbenzene.
What is the SMILES notation for 3-prop-2-enylnonadecylbenzene?
The canonical SMILES for 3-prop-2-enylnonadecylbenzene is C=CCC(CCCCCCCCCCCCCCCC)CCc1ccccc1.
What is the InChIKey of 3-prop-2-enylnonadecylbenzene?
The InChIKey is BTSLETHZDRJODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H48/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-22-27(21-4-2)25-26-28-23-19-17-20-24-28/h4,17,19-20,23-24,27H,2-3,5-16,18,21-22,25-26H2,1H3.
What are the key properties of 3-prop-2-enylnonadecylbenzene?
3-prop-2-enylnonadecylbenzene has a molecular weight of 384.69 g/mol, XLogP of 9.68, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enylnonadecylbenzene is sourced from PubChem (CID 173349260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).