1-hept-6-enyl-2,3,4,5,6-pentamethylbenzene

C18H28 — CID 91177623

IUPAC1-hept-6-enyl-2,3,4,5,6-pentamethylbenzene
SMILESC=CCCCCCc1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C18H28/c1-7-8-9-10-11-12-18-16(5)14(3)13(2)15(4)17(18)6/h7H,1,8-12H2,2-6H3
InChIKeyHWGDFJJHVXFPTA-UHFFFAOYSA-N
MW244.42 g/mol
LogP5.52
Rot. Bonds6

About 1-hept-6-enyl-2,3,4,5,6-pentamethylbenzene

1-hept-6-enyl-2,3,4,5,6-pentamethylbenzene (PubChem CID 91177623) has the molecular formula C18H28 and a molecular weight of 244.42 g/mol. Its IUPAC name is 1-hept-6-enyl-2,3,4,5,6-pentamethylbenzene.

Molecular Properties

Compound Name1-hept-6-enyl-2,3,4,5,6-pentamethylbenzene
PubChem CID91177623
Molecular FormulaC18H28
Molecular Weight244.42 g/mol
Exact Mass244.22
IUPAC Name1-hept-6-enyl-2,3,4,5,6-pentamethylbenzene
SMILESC=CCCCCCc1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C18H28/c1-7-8-9-10-11-12-18-16(5)14(3)13(2)15(4)17(18)6/h7H,1,8-12H2,2-6H3
InChIKeyHWGDFJJHVXFPTA-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.42
LogP ≤ 55.52
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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Frequently Asked Questions

What is the IUPAC name of 1-hept-6-enyl-2,3,4,5,6-pentamethylbenzene?
The IUPAC name of 1-hept-6-enyl-2,3,4,5,6-pentamethylbenzene (CID 91177623) is 1-hept-6-enyl-2,3,4,5,6-pentamethylbenzene.
What is the SMILES notation for 1-hept-6-enyl-2,3,4,5,6-pentamethylbenzene?
The canonical SMILES for 1-hept-6-enyl-2,3,4,5,6-pentamethylbenzene is C=CCCCCCc1c(C)c(C)c(C)c(C)c1C.
What is the InChIKey of 1-hept-6-enyl-2,3,4,5,6-pentamethylbenzene?
The InChIKey is HWGDFJJHVXFPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28/c1-7-8-9-10-11-12-18-16(5)14(3)13(2)15(4)17(18)6/h7H,1,8-12H2,2-6H3.
What are the key properties of 1-hept-6-enyl-2,3,4,5,6-pentamethylbenzene?
1-hept-6-enyl-2,3,4,5,6-pentamethylbenzene has a molecular weight of 244.42 g/mol, XLogP of 5.52, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hept-6-enyl-2,3,4,5,6-pentamethylbenzene is sourced from PubChem (CID 91177623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).