1-ethyl-4-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)benzene

C17H22 — CID 142940805

IUPAC1-ethyl-4-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)benzene
SMILESCCc1ccc(C2=CC=C(C(C)C)CC2)cc1
InChIInChI=1S/C17H22/c1-4-14-5-7-16(8-6-14)17-11-9-15(10-12-17)13(2)3/h5-9,11,13H,4,10,12H2,1-3H3
InChIKeyBUOSHJXFSDSOBI-UHFFFAOYSA-N
MW226.36 g/mol
LogP5.01
Rot. Bonds3

About 1-ethyl-4-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)benzene

1-ethyl-4-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)benzene (PubChem CID 142940805) has the molecular formula C17H22 and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-ethyl-4-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)benzene.

Molecular Properties

Compound Name1-ethyl-4-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)benzene
PubChem CID142940805
Molecular FormulaC17H22
Molecular Weight226.36 g/mol
Exact Mass226.17
IUPAC Name1-ethyl-4-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)benzene
SMILESCCc1ccc(C2=CC=C(C(C)C)CC2)cc1
InChIInChI=1S/C17H22/c1-4-14-5-7-16(8-6-14)17-11-9-15(10-12-17)13(2)3/h5-9,11,13H,4,10,12H2,1-3H3
InChIKeyBUOSHJXFSDSOBI-UHFFFAOYSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.36
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)benzene?
The IUPAC name of 1-ethyl-4-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)benzene (CID 142940805) is 1-ethyl-4-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)benzene.
What is the SMILES notation for 1-ethyl-4-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)benzene?
The canonical SMILES for 1-ethyl-4-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)benzene is CCc1ccc(C2=CC=C(C(C)C)CC2)cc1.
What is the InChIKey of 1-ethyl-4-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)benzene?
The InChIKey is BUOSHJXFSDSOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22/c1-4-14-5-7-16(8-6-14)17-11-9-15(10-12-17)13(2)3/h5-9,11,13H,4,10,12H2,1-3H3.
What are the key properties of 1-ethyl-4-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)benzene?
1-ethyl-4-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)benzene has a molecular weight of 226.36 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)benzene is sourced from PubChem (CID 142940805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).