1-pentyl-4-prop-2-enylbenzene

C14H20 — CID 24721930

IUPAC1-pentyl-4-prop-2-enylbenzene
SMILESC=CCc1ccc(CCCCC)cc1
InChIInChI=1S/C14H20/c1-3-5-6-8-14-11-9-13(7-4-2)10-12-14/h4,9-12H,2-3,5-8H2,1H3
InChIKeyRWKGEUWMECDGBK-UHFFFAOYSA-N
MW188.31 g/mol
LogP4.15
Rot. Bonds6

About 1-pentyl-4-prop-2-enylbenzene

1-pentyl-4-prop-2-enylbenzene (PubChem CID 24721930) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is 1-pentyl-4-prop-2-enylbenzene.

Molecular Properties

Compound Name1-pentyl-4-prop-2-enylbenzene
PubChem CID24721930
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name1-pentyl-4-prop-2-enylbenzene
SMILESC=CCc1ccc(CCCCC)cc1
InChIInChI=1S/C14H20/c1-3-5-6-8-14-11-9-13(7-4-2)10-12-14/h4,9-12H,2-3,5-8H2,1H3
InChIKeyRWKGEUWMECDGBK-UHFFFAOYSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 54.15
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

1-hexyl-4-prop-2-enylbenzene
CID 91099375
1-but-3-enyl-4-hexylbenzene
CID 91077567
1-decyl-4-hex-5-enylbenzene
CID 91529966
1-decyl-4-oct-7-enylbenzene
CID 91553239
2-(4-dodecylphenyl)acetaldehyde
CID 175020639
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
1-ethenyl-4-nonylbenzene;1-ethenyl-4-octylbenzene
CID 22646096
1-ethenyl-4-hexylbenzene
CID 21225742
1-butyl-4-nonylbenzene
CID 59545302
pentane;prop-2-enylbenzene
CID 90884247
CID 57470906
CID 57470906
1-butyl-3-prop-2-enylbenzene
CID 140596641

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-4-prop-2-enylbenzene?
The IUPAC name of 1-pentyl-4-prop-2-enylbenzene (CID 24721930) is 1-pentyl-4-prop-2-enylbenzene.
What is the SMILES notation for 1-pentyl-4-prop-2-enylbenzene?
The canonical SMILES for 1-pentyl-4-prop-2-enylbenzene is C=CCc1ccc(CCCCC)cc1.
What is the InChIKey of 1-pentyl-4-prop-2-enylbenzene?
The InChIKey is RWKGEUWMECDGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20/c1-3-5-6-8-14-11-9-13(7-4-2)10-12-14/h4,9-12H,2-3,5-8H2,1H3.
What are the key properties of 1-pentyl-4-prop-2-enylbenzene?
1-pentyl-4-prop-2-enylbenzene has a molecular weight of 188.31 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-4-prop-2-enylbenzene is sourced from PubChem (CID 24721930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).