4-ethyl-2-methyl-1-(8-methylnon-8-enyl)benzene

C19H30 — CID 174085022

IUPAC4-ethyl-2-methyl-1-(8-methylnon-8-enyl)benzene
SMILESC=C(C)CCCCCCCc1ccc(CC)cc1C
InChIInChI=1S/C19H30/c1-5-18-13-14-19(17(4)15-18)12-10-8-6-7-9-11-16(2)3/h13-15H,2,5-12H2,1,3-4H3
InChIKeyVBMOMSUPLBNIAK-UHFFFAOYSA-N
MW258.45 g/mol
LogP6.02
Rot. Bonds9

About 4-ethyl-2-methyl-1-(8-methylnon-8-enyl)benzene

4-ethyl-2-methyl-1-(8-methylnon-8-enyl)benzene (PubChem CID 174085022) has the molecular formula C19H30 and a molecular weight of 258.45 g/mol. Its IUPAC name is 4-ethyl-2-methyl-1-(8-methylnon-8-enyl)benzene.

Molecular Properties

Compound Name4-ethyl-2-methyl-1-(8-methylnon-8-enyl)benzene
PubChem CID174085022
Molecular FormulaC19H30
Molecular Weight258.45 g/mol
Exact Mass258.23
IUPAC Name4-ethyl-2-methyl-1-(8-methylnon-8-enyl)benzene
SMILESC=C(C)CCCCCCCc1ccc(CC)cc1C
InChIInChI=1S/C19H30/c1-5-18-13-14-19(17(4)15-18)12-10-8-6-7-9-11-16(2)3/h13-15H,2,5-12H2,1,3-4H3
InChIKeyVBMOMSUPLBNIAK-UHFFFAOYSA-N
XLogP6.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.45
LogP ≤ 56.02
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

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acetylene;1,4-diethyl-2-methylbenzene;ethane
CID 143147503
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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-1-(8-methylnon-8-enyl)benzene?
The IUPAC name of 4-ethyl-2-methyl-1-(8-methylnon-8-enyl)benzene (CID 174085022) is 4-ethyl-2-methyl-1-(8-methylnon-8-enyl)benzene.
What is the SMILES notation for 4-ethyl-2-methyl-1-(8-methylnon-8-enyl)benzene?
The canonical SMILES for 4-ethyl-2-methyl-1-(8-methylnon-8-enyl)benzene is C=C(C)CCCCCCCc1ccc(CC)cc1C.
What is the InChIKey of 4-ethyl-2-methyl-1-(8-methylnon-8-enyl)benzene?
The InChIKey is VBMOMSUPLBNIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30/c1-5-18-13-14-19(17(4)15-18)12-10-8-6-7-9-11-16(2)3/h13-15H,2,5-12H2,1,3-4H3.
What are the key properties of 4-ethyl-2-methyl-1-(8-methylnon-8-enyl)benzene?
4-ethyl-2-methyl-1-(8-methylnon-8-enyl)benzene has a molecular weight of 258.45 g/mol, XLogP of 6.02, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-1-(8-methylnon-8-enyl)benzene is sourced from PubChem (CID 174085022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).