4-prop-2-enylpentadec-1-ene

C18H34 — CID 54427529

IUPAC4-prop-2-enylpentadec-1-ene
SMILESC=CCC(CC=C)CCCCCCCCCCC
InChIInChI=1S/C18H34/c1-4-7-8-9-10-11-12-13-14-17-18(15-5-2)16-6-3/h5-6,18H,2-4,7-17H2,1H3
InChIKeyGJCHUKAYHCYDQN-UHFFFAOYSA-N
MW250.47 g/mol
LogP6.68
Rot. Bonds14

About 4-prop-2-enylpentadec-1-ene

4-prop-2-enylpentadec-1-ene (PubChem CID 54427529) has the molecular formula C18H34 and a molecular weight of 250.47 g/mol. Its IUPAC name is 4-prop-2-enylpentadec-1-ene.

Molecular Properties

Compound Name4-prop-2-enylpentadec-1-ene
PubChem CID54427529
Molecular FormulaC18H34
Molecular Weight250.47 g/mol
Exact Mass250.27
IUPAC Name4-prop-2-enylpentadec-1-ene
SMILESC=CCC(CC=C)CCCCCCCCCCC
InChIInChI=1S/C18H34/c1-4-7-8-9-10-11-12-13-14-17-18(15-5-2)16-6-3/h5-6,18H,2-4,7-17H2,1H3
InChIKeyGJCHUKAYHCYDQN-UHFFFAOYSA-N
XLogP6.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.47
LogP ≤ 56.68
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

17-prop-2-enyltetratriacontane
CID 173452630
7-prop-2-enyldodec-4-ene
CID 173342323
icosyl(23-prop-2-enyloctatriacontyl)phosphane;vanadium
CID 20744672
4-(propoxymethyl)dodec-1-ene
CID 71378580
(4S)-4-ethyloct-1-ene
CID 129373406
5-prop-2-enyldodecanoic acid
CID 90887636
7-pentyltridec-1-ene
CID 123620244
12-pentyltricosa-1,22-diene
CID 102409743
26-heptadecylnonapentacont-1-ene
CID 123445046
9-butyltetracosane;icosane;oct-1-ene
CID 159857155
(4R)-dodec-1-en-4-ol
CID 11074077
4-fluoropentadec-1-ene
CID 143980948

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enylpentadec-1-ene?
The IUPAC name of 4-prop-2-enylpentadec-1-ene (CID 54427529) is 4-prop-2-enylpentadec-1-ene.
What is the SMILES notation for 4-prop-2-enylpentadec-1-ene?
The canonical SMILES for 4-prop-2-enylpentadec-1-ene is C=CCC(CC=C)CCCCCCCCCCC.
What is the InChIKey of 4-prop-2-enylpentadec-1-ene?
The InChIKey is GJCHUKAYHCYDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34/c1-4-7-8-9-10-11-12-13-14-17-18(15-5-2)16-6-3/h5-6,18H,2-4,7-17H2,1H3.
What are the key properties of 4-prop-2-enylpentadec-1-ene?
4-prop-2-enylpentadec-1-ene has a molecular weight of 250.47 g/mol, XLogP of 6.68, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enylpentadec-1-ene is sourced from PubChem (CID 54427529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).