1-ethyl-4-methylbenzene;1,2,3,4,5-pentamethylcyclopentane

C19H32 — CID 91344204

IUPAC1-ethyl-4-methylbenzene;1,2,3,4,5-pentamethylcyclopentane
SMILESCC1C(C)C(C)C(C)C1C.CCc1ccc(C)cc1
InChIInChI=1S/C10H20.C9H12/c1-6-7(2)9(4)10(5)8(6)3;1-3-9-6-4-8(2)5-7-9/h6-10H,1-5H3;4-7H,3H2,1-2H3
InChIKeyNNFIGIVDTJQAKW-UHFFFAOYSA-N
MW260.46 g/mol
LogP5.74
Rot. Bonds1

About 1-ethyl-4-methylbenzene;1,2,3,4,5-pentamethylcyclopentane

1-ethyl-4-methylbenzene;1,2,3,4,5-pentamethylcyclopentane (PubChem CID 91344204) has the molecular formula C19H32 and a molecular weight of 260.46 g/mol. Its IUPAC name is 1-ethyl-4-methylbenzene;1,2,3,4,5-pentamethylcyclopentane.

Molecular Properties

Compound Name1-ethyl-4-methylbenzene;1,2,3,4,5-pentamethylcyclopentane
PubChem CID91344204
Molecular FormulaC19H32
Molecular Weight260.46 g/mol
Exact Mass260.25
IUPAC Name1-ethyl-4-methylbenzene;1,2,3,4,5-pentamethylcyclopentane
SMILESCC1C(C)C(C)C(C)C1C.CCc1ccc(C)cc1
InChIInChI=1S/C10H20.C9H12/c1-6-7(2)9(4)10(5)8(6)3;1-3-9-6-4-8(2)5-7-9/h6-10H,1-5H3;4-7H,3H2,1-2H3
InChIKeyNNFIGIVDTJQAKW-UHFFFAOYSA-N
XLogP5.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.46
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

bis(1-ethyl-4-methylbenzene);hydrate
CID 175281588
1-ethyl-4-methylbenzene;propane
CID 144580802
ethane;1-ethyl-4-methylbenzene;fluoromethane
CID 142146910
1-[(4-ethylphenyl)methyl]-4-[[4-[(4-methylphenyl)methyl]phenyl]methyl]benzene
CID 23525828
1-ethyl-4-methylbenzene;hydroxy(methyl)silane
CID 160772634
ethylbenzene;1-ethyl-4-methylbenzene;propane
CID 160625021
1-ethyl-4-methylcyclodeca-1,3,5,7,9-pentaene
CID 123858491
butane;1-ethyl-4-methylbenzene;methane;2-methylpropane
CID 160516837
ethane;1-ethyl-4-methylbenzene;prop-1-ene
CID 143347591
1,3-diethylbenzene;1,4-diethylbenzene;methane;1,4-xylene
CID 158740154
1,4-diethylbenzene;ethane
CID 91207141
alumane;1,4-diethylbenzene
CID 174296012

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methylbenzene;1,2,3,4,5-pentamethylcyclopentane?
The IUPAC name of 1-ethyl-4-methylbenzene;1,2,3,4,5-pentamethylcyclopentane (CID 91344204) is 1-ethyl-4-methylbenzene;1,2,3,4,5-pentamethylcyclopentane.
What is the SMILES notation for 1-ethyl-4-methylbenzene;1,2,3,4,5-pentamethylcyclopentane?
The canonical SMILES for 1-ethyl-4-methylbenzene;1,2,3,4,5-pentamethylcyclopentane is CC1C(C)C(C)C(C)C1C.CCc1ccc(C)cc1.
What is the InChIKey of 1-ethyl-4-methylbenzene;1,2,3,4,5-pentamethylcyclopentane?
The InChIKey is NNFIGIVDTJQAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.C9H12/c1-6-7(2)9(4)10(5)8(6)3;1-3-9-6-4-8(2)5-7-9/h6-10H,1-5H3;4-7H,3H2,1-2H3.
What are the key properties of 1-ethyl-4-methylbenzene;1,2,3,4,5-pentamethylcyclopentane?
1-ethyl-4-methylbenzene;1,2,3,4,5-pentamethylcyclopentane has a molecular weight of 260.46 g/mol, XLogP of 5.74, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methylbenzene;1,2,3,4,5-pentamethylcyclopentane is sourced from PubChem (CID 91344204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).