1-ethenyl-4-hexylbenzene;1-ethenyl-4-(methoxymethyl)benzene

C24H32O — CID 157182704

IUPAC1-ethenyl-4-hexylbenzene;1-ethenyl-4-(methoxymethyl)benzene
SMILESC=Cc1ccc(CCCCCC)cc1.C=Cc1ccc(COC)cc1
InChIInChI=1S/C14H20.C10H12O/c1-3-5-6-7-8-14-11-9-13(4-2)10-12-14;1-3-9-4-6-10(7-5-9)8-11-2/h4,9-12H,2-3,5-8H2,1H3;3-7H,1,8H2,2H3
InChIKeyAOTCPXGMHCCWEP-UHFFFAOYSA-N
MW336.52 g/mol
LogP6.93
Rot. Bonds9

About 1-ethenyl-4-hexylbenzene;1-ethenyl-4-(methoxymethyl)benzene

1-ethenyl-4-hexylbenzene;1-ethenyl-4-(methoxymethyl)benzene (PubChem CID 157182704) has the molecular formula C24H32O and a molecular weight of 336.52 g/mol. Its IUPAC name is 1-ethenyl-4-hexylbenzene;1-ethenyl-4-(methoxymethyl)benzene.

Molecular Properties

Compound Name1-ethenyl-4-hexylbenzene;1-ethenyl-4-(methoxymethyl)benzene
PubChem CID157182704
Molecular FormulaC24H32O
Molecular Weight336.52 g/mol
Exact Mass336.25
IUPAC Name1-ethenyl-4-hexylbenzene;1-ethenyl-4-(methoxymethyl)benzene
SMILESC=Cc1ccc(CCCCCC)cc1.C=Cc1ccc(COC)cc1
InChIInChI=1S/C14H20.C10H12O/c1-3-5-6-7-8-14-11-9-13(4-2)10-12-14;1-3-9-4-6-10(7-5-9)8-11-2/h4,9-12H,2-3,5-8H2,1H3;3-7H,1,8H2,2H3
InChIKeyAOTCPXGMHCCWEP-UHFFFAOYSA-N
XLogP6.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.52
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethenyl-4-nonylbenzene;1-ethenyl-4-octylbenzene
CID 22646096
1-ethenyl-4-hexylbenzene
CID 21225742
1-ethenyl-4-[4-(methoxymethyl)phenyl]benzene
CID 22186395
tributyl-[7-(4-ethenylphenyl)heptyl]phosphanium
CID 160536967
1-(4-ethenylphenyl)-N-(4-nonylphenyl)methanimine
CID 143730274
1-ethenyl-4-(pentoxymethyl)benzene
CID 12541564
1-ethenyl-4-(2-octoxyethoxymethyl)benzene
CID 156621378
1-decyl-4-[4-(4-octylphenyl)buta-1,3-dienyl]benzene
CID 173328821
1-decyl-4-[(4-decylphenyl)methoxymethyl]benzene
CID 154488983
1-ethenyl-4-pentylbenzene;1,2,3,5-tetrafluorobenzene
CID 90876868
1-ethenyl-4-(2-methoxyethyl)benzene
CID 66598261
1-ethenyl-4-(5-phenylpentyl)benzene
CID 151483185

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-hexylbenzene;1-ethenyl-4-(methoxymethyl)benzene?
The IUPAC name of 1-ethenyl-4-hexylbenzene;1-ethenyl-4-(methoxymethyl)benzene (CID 157182704) is 1-ethenyl-4-hexylbenzene;1-ethenyl-4-(methoxymethyl)benzene.
What is the SMILES notation for 1-ethenyl-4-hexylbenzene;1-ethenyl-4-(methoxymethyl)benzene?
The canonical SMILES for 1-ethenyl-4-hexylbenzene;1-ethenyl-4-(methoxymethyl)benzene is C=Cc1ccc(CCCCCC)cc1.C=Cc1ccc(COC)cc1.
What is the InChIKey of 1-ethenyl-4-hexylbenzene;1-ethenyl-4-(methoxymethyl)benzene?
The InChIKey is AOTCPXGMHCCWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20.C10H12O/c1-3-5-6-7-8-14-11-9-13(4-2)10-12-14;1-3-9-4-6-10(7-5-9)8-11-2/h4,9-12H,2-3,5-8H2,1H3;3-7H,1,8H2,2H3.
What are the key properties of 1-ethenyl-4-hexylbenzene;1-ethenyl-4-(methoxymethyl)benzene?
1-ethenyl-4-hexylbenzene;1-ethenyl-4-(methoxymethyl)benzene has a molecular weight of 336.52 g/mol, XLogP of 6.93, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-hexylbenzene;1-ethenyl-4-(methoxymethyl)benzene is sourced from PubChem (CID 157182704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).