3-hept-1-enyl-1,2,4,5-tetramethylbenzene

C17H26 — CID 173045818

IUPAC3-hept-1-enyl-1,2,4,5-tetramethylbenzene
SMILESCCCCCC=Cc1c(C)c(C)cc(C)c1C
InChIInChI=1S/C17H26/c1-6-7-8-9-10-11-17-15(4)13(2)12-14(3)16(17)5/h10-12H,6-9H2,1-5H3
InChIKeyDVHCQHCZYXHMEE-UHFFFAOYSA-N
MW230.39 g/mol
LogP5.51
Rot. Bonds5

About 3-hept-1-enyl-1,2,4,5-tetramethylbenzene

3-hept-1-enyl-1,2,4,5-tetramethylbenzene (PubChem CID 173045818) has the molecular formula C17H26 and a molecular weight of 230.39 g/mol. Its IUPAC name is 3-hept-1-enyl-1,2,4,5-tetramethylbenzene.

Molecular Properties

Compound Name3-hept-1-enyl-1,2,4,5-tetramethylbenzene
PubChem CID173045818
Molecular FormulaC17H26
Molecular Weight230.39 g/mol
Exact Mass230.20
IUPAC Name3-hept-1-enyl-1,2,4,5-tetramethylbenzene
SMILESCCCCCC=Cc1c(C)c(C)cc(C)c1C
InChIInChI=1S/C17H26/c1-6-7-8-9-10-11-17-15(4)13(2)12-14(3)16(17)5/h10-12H,6-9H2,1-5H3
InChIKeyDVHCQHCZYXHMEE-UHFFFAOYSA-N
XLogP5.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.39
LogP ≤ 55.51
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

1,2,4-trimethyl-3-oct-1-enylbenzene
CID 150667765
3-[(E)-4-chlorobut-1-enyl]-1,2,4,5-tetramethylbenzene
CID 82080409
2-[(E)-hept-1-enyl]-1,3-dimethylbenzene
CID 102152874
3-[(Z)-dec-1-enyl]-2,4,6-trimethylpyridine
CID 70694935
3-(3-bromoprop-1-enyl)-1,2,4,5-tetramethylbenzene
CID 169476516
1,2,3-trimethyl-4-oct-1-enylbenzene
CID 173045984
1,3-dichloro-2-[(E)-hept-1-enyl]benzene
CID 20721002
1-[(E)-hept-1-enyl]-2-methylbenzene
CID 12013068
1-methyl-2-[(E)-oct-1-enyl]benzene
CID 11989536
2,5-bis(undec-1-enyl)furan
CID 90706742
2-heptadeca-1,8-dienyl-3-methylnaphthalene-1,4-diol
CID 91097047
2-methyl-4-[(E)-tetradec-1-enyl]furan
CID 91799260

Frequently Asked Questions

What is the IUPAC name of 3-hept-1-enyl-1,2,4,5-tetramethylbenzene?
The IUPAC name of 3-hept-1-enyl-1,2,4,5-tetramethylbenzene (CID 173045818) is 3-hept-1-enyl-1,2,4,5-tetramethylbenzene.
What is the SMILES notation for 3-hept-1-enyl-1,2,4,5-tetramethylbenzene?
The canonical SMILES for 3-hept-1-enyl-1,2,4,5-tetramethylbenzene is CCCCCC=Cc1c(C)c(C)cc(C)c1C.
What is the InChIKey of 3-hept-1-enyl-1,2,4,5-tetramethylbenzene?
The InChIKey is DVHCQHCZYXHMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26/c1-6-7-8-9-10-11-17-15(4)13(2)12-14(3)16(17)5/h10-12H,6-9H2,1-5H3.
What are the key properties of 3-hept-1-enyl-1,2,4,5-tetramethylbenzene?
3-hept-1-enyl-1,2,4,5-tetramethylbenzene has a molecular weight of 230.39 g/mol, XLogP of 5.51, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hept-1-enyl-1,2,4,5-tetramethylbenzene is sourced from PubChem (CID 173045818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).