1-hept-6-enyl-2,4-dimethylbenzene

C15H22 — CID 91041017

IUPAC1-hept-6-enyl-2,4-dimethylbenzene
SMILESC=CCCCCCc1ccc(C)cc1C
InChIInChI=1S/C15H22/c1-4-5-6-7-8-9-15-11-10-13(2)12-14(15)3/h4,10-12H,1,5-9H2,2-3H3
InChIKeyOJXRSEGQDZIZQI-UHFFFAOYSA-N
MW202.34 g/mol
LogP4.59
Rot. Bonds6

About 1-hept-6-enyl-2,4-dimethylbenzene

1-hept-6-enyl-2,4-dimethylbenzene (PubChem CID 91041017) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is 1-hept-6-enyl-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-hept-6-enyl-2,4-dimethylbenzene
PubChem CID91041017
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name1-hept-6-enyl-2,4-dimethylbenzene
SMILESC=CCCCCCc1ccc(C)cc1C
InChIInChI=1S/C15H22/c1-4-5-6-7-8-9-15-11-10-13(2)12-14(15)3/h4,10-12H,1,5-9H2,2-3H3
InChIKeyOJXRSEGQDZIZQI-UHFFFAOYSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 54.59
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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Related Compounds

1-methyl-2-oct-7-enylbenzene
CID 18786509
12-(2,4-dimethylphenyl)dodecan-1-amine
CID 70565754
but-1-ene;2,4-dimethyl-1-propylbenzene;ethane
CID 165130204
but-1-ene;ethane;hex-1-ene;1,2,4-trimethylbenzene
CID 144521975
(E)-6-(2,4-dimethylphenyl)-N-ethenyl-2-methylhex-1-en-1-amine
CID 143737435
1-hex-5-enyl-4-(4-methylphenyl)benzene
CID 59812350
N-tert-butyl-6-(2,4-dimethylphenyl)hexan-1-amine
CID 65308446
2,4-dimethyl-1-pent-4-enoxybenzene
CID 64763519
2-(2,4-dimethylphenyl)-N-iodo-N-methylethanamine
CID 166117253
3-(2,4-dimethylphenyl)-N-iodopropan-1-amine;ethane
CID 145450537
1-(2,5-dimethylphenyl)-N-methylnon-8-en-2-amine
CID 107011687
2,4-dichloro-1-oct-7-enylbenzene;methylsulfinylmethane
CID 67875252

Frequently Asked Questions

What is the IUPAC name of 1-hept-6-enyl-2,4-dimethylbenzene?
The IUPAC name of 1-hept-6-enyl-2,4-dimethylbenzene (CID 91041017) is 1-hept-6-enyl-2,4-dimethylbenzene.
What is the SMILES notation for 1-hept-6-enyl-2,4-dimethylbenzene?
The canonical SMILES for 1-hept-6-enyl-2,4-dimethylbenzene is C=CCCCCCc1ccc(C)cc1C.
What is the InChIKey of 1-hept-6-enyl-2,4-dimethylbenzene?
The InChIKey is OJXRSEGQDZIZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22/c1-4-5-6-7-8-9-15-11-10-13(2)12-14(15)3/h4,10-12H,1,5-9H2,2-3H3.
What are the key properties of 1-hept-6-enyl-2,4-dimethylbenzene?
1-hept-6-enyl-2,4-dimethylbenzene has a molecular weight of 202.34 g/mol, XLogP of 4.59, 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-2,4-dimethylbenzene is sourced from PubChem (CID 91041017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).