4-ethyl-2-methyl-1-pentylbenzene

C14H22 — CID 143596455

IUPAC4-ethyl-2-methyl-1-pentylbenzene
SMILESCCCCCc1ccc(CC)cc1C
InChIInChI=1S/C14H22/c1-4-6-7-8-14-10-9-13(5-2)11-12(14)3/h9-11H,4-8H2,1-3H3
InChIKeyYSUMPOXEKWTUKC-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.29
Rot. Bonds5

About 4-ethyl-2-methyl-1-pentylbenzene

4-ethyl-2-methyl-1-pentylbenzene (PubChem CID 143596455) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 4-ethyl-2-methyl-1-pentylbenzene.

Molecular Properties

Compound Name4-ethyl-2-methyl-1-pentylbenzene
PubChem CID143596455
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name4-ethyl-2-methyl-1-pentylbenzene
SMILESCCCCCc1ccc(CC)cc1C
InChIInChI=1S/C14H22/c1-4-6-7-8-14-10-9-13(5-2)11-12(14)3/h9-11H,4-8H2,1-3H3
InChIKeyYSUMPOXEKWTUKC-UHFFFAOYSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.29
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

4-(chloromethyl)-1-dodecyl-2-methylbenzene
CID 102093767
4-ethyl-2-hexyl-1-methylbenzene
CID 54443410
4-ethyl-1-(3-fluoropropyl)-2-methylbenzene
CID 130372801
2-methyl-1-pentyl-4-[4-(4-pentylphenyl)phenyl]benzene
CID 173354909
4-ethyl-2-methyl-1-(8-methylnon-8-enyl)benzene
CID 174085022
5-ethyl-2-hexylaniline
CID 22065589
1,4-diethyl-2-methylbenzene;ethane
CID 158451617
4-fluoro-2-methyl-1-pentylbenzene
CID 57094925
ethane;2-methyl-4-(6-methylhept-6-enyl)-1-octylbenzene
CID 142267466
1,2-dimethyl-4-octylbenzene
CID 14044616
3-methyl-4-octylphenol
CID 67863636
3-methyl-4-octylaniline
CID 139523093

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-1-pentylbenzene?
The IUPAC name of 4-ethyl-2-methyl-1-pentylbenzene (CID 143596455) is 4-ethyl-2-methyl-1-pentylbenzene.
What is the SMILES notation for 4-ethyl-2-methyl-1-pentylbenzene?
The canonical SMILES for 4-ethyl-2-methyl-1-pentylbenzene is CCCCCc1ccc(CC)cc1C.
What is the InChIKey of 4-ethyl-2-methyl-1-pentylbenzene?
The InChIKey is YSUMPOXEKWTUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-4-6-7-8-14-10-9-13(5-2)11-12(14)3/h9-11H,4-8H2,1-3H3.
What are the key properties of 4-ethyl-2-methyl-1-pentylbenzene?
4-ethyl-2-methyl-1-pentylbenzene has a molecular weight of 190.33 g/mol, XLogP of 4.29, 5 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-pentylbenzene is sourced from PubChem (CID 143596455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).