1-ethyl-3-[(1-ethylcyclohexa-2,4-dien-1-yl)methyl]benzene

C17H22 — CID 150985591

IUPAC1-ethyl-3-[(1-ethylcyclohexa-2,4-dien-1-yl)methyl]benzene
SMILESCCc1cccc(CC2(CC)C=CC=CC2)c1
InChIInChI=1S/C17H22/c1-3-15-9-8-10-16(13-15)14-17(4-2)11-6-5-7-12-17/h5-11,13H,3-4,12,14H2,1-2H3
InChIKeyLRAAVIFJHCZUMA-UHFFFAOYSA-N
MW226.36 g/mol
LogP4.70
Rot. Bonds4

About 1-ethyl-3-[(1-ethylcyclohexa-2,4-dien-1-yl)methyl]benzene

1-ethyl-3-[(1-ethylcyclohexa-2,4-dien-1-yl)methyl]benzene (PubChem CID 150985591) has the molecular formula C17H22 and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-ethyl-3-[(1-ethylcyclohexa-2,4-dien-1-yl)methyl]benzene.

Molecular Properties

Compound Name1-ethyl-3-[(1-ethylcyclohexa-2,4-dien-1-yl)methyl]benzene
PubChem CID150985591
Molecular FormulaC17H22
Molecular Weight226.36 g/mol
Exact Mass226.17
IUPAC Name1-ethyl-3-[(1-ethylcyclohexa-2,4-dien-1-yl)methyl]benzene
SMILESCCc1cccc(CC2(CC)C=CC=CC2)c1
InChIInChI=1S/C17H22/c1-3-15-9-8-10-16(13-15)14-17(4-2)11-6-5-7-12-17/h5-11,13H,3-4,12,14H2,1-2H3
InChIKeyLRAAVIFJHCZUMA-UHFFFAOYSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[(1R)-1-ethylcyclohexa-2,4-dien-1-yl]methanamine
CID 139999917
ethane;1-ethyl-3-(3-methylbutyl)benzene
CID 143683822
1-ethyl-3-(2-phenylethyl)benzene;molecular hydrogen
CID 142077285
2-(3-ethylphenyl)-N,N-dimethylethanamine
CID 68500116
1-(3-ethylphenyl)propan-2-ol
CID 85092525
1-(1-benzylcyclohexa-2,4-dien-1-yl)hexan-1-one
CID 175608884
ethane;1-ethyl-3-(2-methylpropyl)benzene;molecular hydrogen
CID 142978471
1-ethyl-3-methylsulfanylbenzene
CID 14944133
cyclopenta-1,3-diene;ethane;ethylbenzene
CID 90860127
1-ethyl-3-methyliodanuidylbenzene
CID 132989510
1,3-diethylbenzene;1,4-diethylbenzene;methane;1,4-xylene
CID 158740154
1-ethyl-3-(methoxymethyl)benzene
CID 54065687

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(1-ethylcyclohexa-2,4-dien-1-yl)methyl]benzene?
The IUPAC name of 1-ethyl-3-[(1-ethylcyclohexa-2,4-dien-1-yl)methyl]benzene (CID 150985591) is 1-ethyl-3-[(1-ethylcyclohexa-2,4-dien-1-yl)methyl]benzene.
What is the SMILES notation for 1-ethyl-3-[(1-ethylcyclohexa-2,4-dien-1-yl)methyl]benzene?
The canonical SMILES for 1-ethyl-3-[(1-ethylcyclohexa-2,4-dien-1-yl)methyl]benzene is CCc1cccc(CC2(CC)C=CC=CC2)c1.
What is the InChIKey of 1-ethyl-3-[(1-ethylcyclohexa-2,4-dien-1-yl)methyl]benzene?
The InChIKey is LRAAVIFJHCZUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22/c1-3-15-9-8-10-16(13-15)14-17(4-2)11-6-5-7-12-17/h5-11,13H,3-4,12,14H2,1-2H3.
What are the key properties of 1-ethyl-3-[(1-ethylcyclohexa-2,4-dien-1-yl)methyl]benzene?
1-ethyl-3-[(1-ethylcyclohexa-2,4-dien-1-yl)methyl]benzene has a molecular weight of 226.36 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(1-ethylcyclohexa-2,4-dien-1-yl)methyl]benzene is sourced from PubChem (CID 150985591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).