1-ethyl-4-(3-methylpentan-3-yl)benzene

C14H22 — CID 154560765

IUPAC1-ethyl-4-(3-methylpentan-3-yl)benzene
SMILESCCc1ccc(C(C)(CC)CC)cc1
InChIInChI=1S/C14H22/c1-5-12-8-10-13(11-9-12)14(4,6-2)7-3/h8-11H,5-7H2,1-4H3
InChIKeyZADQPAJBXUSKFZ-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.33
Rot. Bonds4

About 1-ethyl-4-(3-methylpentan-3-yl)benzene

1-ethyl-4-(3-methylpentan-3-yl)benzene (PubChem CID 154560765) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 1-ethyl-4-(3-methylpentan-3-yl)benzene.

Molecular Properties

Compound Name1-ethyl-4-(3-methylpentan-3-yl)benzene
PubChem CID154560765
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name1-ethyl-4-(3-methylpentan-3-yl)benzene
SMILESCCc1ccc(C(C)(CC)CC)cc1
InChIInChI=1S/C14H22/c1-5-12-8-10-13(11-9-12)14(4,6-2)7-3/h8-11H,5-7H2,1-4H3
InChIKeyZADQPAJBXUSKFZ-UHFFFAOYSA-N
XLogP4.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-tert-butyl-4-ethylbenzene
CID 157359507
1-ethyl-4-(2-fluorobutan-2-yl)benzene
CID 89336588
1-iodo-4-(3-methylpentan-3-yl)benzene
CID 170407993
4-(3-methylpentan-3-yl)benzenethiol
CID 129033225
1,4-diethylbenzene;methane;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene
CID 159662015
3-(4-ethylphenyl)pentan-3-ol
CID 62543234
1-ethyl-4-[2-(4-ethylphenyl)propan-2-yl]benzene;methanol;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene
CID 159025923
ethane;3-methylpentan-3-ylbenzene
CID 90745317
1-(3-methylpentan-3-yl)-4-[1-(4-propan-2-ylphenyl)ethyl]benzene
CID 163649969
N,N-bis(4-tert-butylphenyl)-4-ethylaniline
CID 59863448
alumane;1,4-diethylbenzene
CID 174296012
1,4-diethylbenzene;ethane
CID 91207141

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(3-methylpentan-3-yl)benzene?
The IUPAC name of 1-ethyl-4-(3-methylpentan-3-yl)benzene (CID 154560765) is 1-ethyl-4-(3-methylpentan-3-yl)benzene.
What is the SMILES notation for 1-ethyl-4-(3-methylpentan-3-yl)benzene?
The canonical SMILES for 1-ethyl-4-(3-methylpentan-3-yl)benzene is CCc1ccc(C(C)(CC)CC)cc1.
What is the InChIKey of 1-ethyl-4-(3-methylpentan-3-yl)benzene?
The InChIKey is ZADQPAJBXUSKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-5-12-8-10-13(11-9-12)14(4,6-2)7-3/h8-11H,5-7H2,1-4H3.
What are the key properties of 1-ethyl-4-(3-methylpentan-3-yl)benzene?
1-ethyl-4-(3-methylpentan-3-yl)benzene has a molecular weight of 190.33 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(3-methylpentan-3-yl)benzene is sourced from PubChem (CID 154560765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).