5-hexyl-2-methyl-1,3-bis(prop-1-en-2-yl)benzene

C19H28 — CID 22002978

IUPAC5-hexyl-2-methyl-1,3-bis(prop-1-en-2-yl)benzene
SMILESC=C(C)c1cc(CCCCCC)cc(C(=C)C)c1C
InChIInChI=1S/C19H28/c1-7-8-9-10-11-17-12-18(14(2)3)16(6)19(13-17)15(4)5/h12-13H,2,4,7-11H2,1,3,5-6H3
InChIKeyZYWUIIGAFQRAGK-UHFFFAOYSA-N
MW256.43 g/mol
LogP6.18
Rot. Bonds7

About 5-hexyl-2-methyl-1,3-bis(prop-1-en-2-yl)benzene

5-hexyl-2-methyl-1,3-bis(prop-1-en-2-yl)benzene (PubChem CID 22002978) has the molecular formula C19H28 and a molecular weight of 256.43 g/mol. Its IUPAC name is 5-hexyl-2-methyl-1,3-bis(prop-1-en-2-yl)benzene.

Molecular Properties

Compound Name5-hexyl-2-methyl-1,3-bis(prop-1-en-2-yl)benzene
PubChem CID22002978
Molecular FormulaC19H28
Molecular Weight256.43 g/mol
Exact Mass256.22
IUPAC Name5-hexyl-2-methyl-1,3-bis(prop-1-en-2-yl)benzene
SMILESC=C(C)c1cc(CCCCCC)cc(C(=C)C)c1C
InChIInChI=1S/C19H28/c1-7-8-9-10-11-17-12-18(14(2)3)16(6)19(13-17)15(4)5/h12-13H,2,4,7-11H2,1,3,5-6H3
InChIKeyZYWUIIGAFQRAGK-UHFFFAOYSA-N
XLogP6.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.43
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3,5-di(pentadecyl)benzene
CID 58289216
1-butyl-3,5-di(tetradecyl)benzene
CID 91192270
2,6-dimethyl-4-octadecylphenol
CID 66619575
4-hexatriacontyl-2,6-dimethylphenol
CID 71335537
2-decyl-5-nonylbenzene-1,3-diol
CID 174774661
2,6-dimethyl-4-pentylphenol
CID 22625507
5-pentacosylbenzene-1,3-diol
CID 159617875
5-icosylbenzene-1,3-diol
CID 15775324
2,5-dihexyl-1,3-dimethylbenzene
CID 123511900
1,3-bis(ethoxymethoxy)-2-(5-methyl-2-prop-1-en-2-ylphenyl)-5-pentylbenzene
CID 155570327
1-ethyl-3,5-di(tetradecyl)benzene
CID 91801932
1,3-didecyl-5-(3,5-didecylphenyl)benzene
CID 150677432

Frequently Asked Questions

What is the IUPAC name of 5-hexyl-2-methyl-1,3-bis(prop-1-en-2-yl)benzene?
The IUPAC name of 5-hexyl-2-methyl-1,3-bis(prop-1-en-2-yl)benzene (CID 22002978) is 5-hexyl-2-methyl-1,3-bis(prop-1-en-2-yl)benzene.
What is the SMILES notation for 5-hexyl-2-methyl-1,3-bis(prop-1-en-2-yl)benzene?
The canonical SMILES for 5-hexyl-2-methyl-1,3-bis(prop-1-en-2-yl)benzene is C=C(C)c1cc(CCCCCC)cc(C(=C)C)c1C.
What is the InChIKey of 5-hexyl-2-methyl-1,3-bis(prop-1-en-2-yl)benzene?
The InChIKey is ZYWUIIGAFQRAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28/c1-7-8-9-10-11-17-12-18(14(2)3)16(6)19(13-17)15(4)5/h12-13H,2,4,7-11H2,1,3,5-6H3.
What are the key properties of 5-hexyl-2-methyl-1,3-bis(prop-1-en-2-yl)benzene?
5-hexyl-2-methyl-1,3-bis(prop-1-en-2-yl)benzene has a molecular weight of 256.43 g/mol, XLogP of 6.18, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-2-methyl-1,3-bis(prop-1-en-2-yl)benzene is sourced from PubChem (CID 22002978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).