1,3-bis(ethenyl)-5-(5-methylhexyl)benzene

C17H24 — CID 159340310

IUPAC1,3-bis(ethenyl)-5-(5-methylhexyl)benzene
SMILESC=Cc1cc(C=C)cc(CCCCC(C)C)c1
InChIInChI=1S/C17H24/c1-5-15-11-16(6-2)13-17(12-15)10-8-7-9-14(3)4/h5-6,11-14H,1-2,7-10H2,3-4H3
InChIKeyLGBCDERWRVJQGV-UHFFFAOYSA-N
MW228.38 g/mol
LogP5.34
Rot. Bonds7

About 1,3-bis(ethenyl)-5-(5-methylhexyl)benzene

1,3-bis(ethenyl)-5-(5-methylhexyl)benzene (PubChem CID 159340310) has the molecular formula C17H24 and a molecular weight of 228.38 g/mol. Its IUPAC name is 1,3-bis(ethenyl)-5-(5-methylhexyl)benzene.

Molecular Properties

Compound Name1,3-bis(ethenyl)-5-(5-methylhexyl)benzene
PubChem CID159340310
Molecular FormulaC17H24
Molecular Weight228.38 g/mol
Exact Mass228.19
IUPAC Name1,3-bis(ethenyl)-5-(5-methylhexyl)benzene
SMILESC=Cc1cc(C=C)cc(CCCCC(C)C)c1
InChIInChI=1S/C17H24/c1-5-15-11-16(6-2)13-17(12-15)10-8-7-9-14(3)4/h5-6,11-14H,1-2,7-10H2,3-4H3
InChIKeyLGBCDERWRVJQGV-UHFFFAOYSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.38
LogP ≤ 55.34
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

3,5-bis(5-methylhexyl)pyridine
CID 90749065
1-ethenoxy-4-(6-methylheptyl)benzene
CID 67713493
4-(7-methyloctyl)benzaldehyde
CID 173431651
1,3-dichloro-5-(4-methylpentyl)benzene
CID 20672445
1,3,5-tris(ethenyl)benzene
CID 10219562
3-(4-methylpentyl)benzaldehyde
CID 139685907
1-(8-methylnonyl)-4-pentylbenzene
CID 158864216
1-(6-methylheptyl)-4-pentylbenzene
CID 158425503
1,4-bis(8-methylnonyl)benzene;phosphorous acid
CID 175244550
1-(6-methylheptyl)-4-(2-methylpropyl)benzene
CID 140836779
3,6-bis(5-methylhexyl)-9H-fluorene
CID 141425162
1-chloro-3-(7-methyloctyl)benzene
CID 168947295

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(ethenyl)-5-(5-methylhexyl)benzene?
The IUPAC name of 1,3-bis(ethenyl)-5-(5-methylhexyl)benzene (CID 159340310) is 1,3-bis(ethenyl)-5-(5-methylhexyl)benzene.
What is the SMILES notation for 1,3-bis(ethenyl)-5-(5-methylhexyl)benzene?
The canonical SMILES for 1,3-bis(ethenyl)-5-(5-methylhexyl)benzene is C=Cc1cc(C=C)cc(CCCCC(C)C)c1.
What is the InChIKey of 1,3-bis(ethenyl)-5-(5-methylhexyl)benzene?
The InChIKey is LGBCDERWRVJQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24/c1-5-15-11-16(6-2)13-17(12-15)10-8-7-9-14(3)4/h5-6,11-14H,1-2,7-10H2,3-4H3.
What are the key properties of 1,3-bis(ethenyl)-5-(5-methylhexyl)benzene?
1,3-bis(ethenyl)-5-(5-methylhexyl)benzene has a molecular weight of 228.38 g/mol, XLogP of 5.34, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(ethenyl)-5-(5-methylhexyl)benzene is sourced from PubChem (CID 159340310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).