ethane;1-(4-ethylcyclopenta-1,3-dien-1-yl)-4-propan-2-ylbenzene

C18H26 — CID 142940851

IUPACethane;1-(4-ethylcyclopenta-1,3-dien-1-yl)-4-propan-2-ylbenzene
SMILESCC.CCC1=CC=C(c2ccc(C(C)C)cc2)C1
InChIInChI=1S/C16H20.C2H6/c1-4-13-5-6-16(11-13)15-9-7-14(8-10-15)12(2)3;1-2/h5-10,12H,4,11H2,1-3H3;1-2H3
InChIKeyILILBPUCTGWLKO-UHFFFAOYSA-N
MW242.41 g/mol
LogP5.96
Rot. Bonds3

About ethane;1-(4-ethylcyclopenta-1,3-dien-1-yl)-4-propan-2-ylbenzene

ethane;1-(4-ethylcyclopenta-1,3-dien-1-yl)-4-propan-2-ylbenzene (PubChem CID 142940851) has the molecular formula C18H26 and a molecular weight of 242.41 g/mol. Its IUPAC name is ethane;1-(4-ethylcyclopenta-1,3-dien-1-yl)-4-propan-2-ylbenzene.

Molecular Properties

Compound Nameethane;1-(4-ethylcyclopenta-1,3-dien-1-yl)-4-propan-2-ylbenzene
PubChem CID142940851
Molecular FormulaC18H26
Molecular Weight242.41 g/mol
Exact Mass242.20
IUPAC Nameethane;1-(4-ethylcyclopenta-1,3-dien-1-yl)-4-propan-2-ylbenzene
SMILESCC.CCC1=CC=C(c2ccc(C(C)C)cc2)C1
InChIInChI=1S/C16H20.C2H6/c1-4-13-5-6-16(11-13)15-9-7-14(8-10-15)12(2)3;1-2/h5-10,12H,4,11H2,1-3H3;1-2H3
InChIKeyILILBPUCTGWLKO-UHFFFAOYSA-N
XLogP5.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.41
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-ethylcyclopenta-1,3-dien-1-yl)-4-propan-2-ylbenzene?
The IUPAC name of ethane;1-(4-ethylcyclopenta-1,3-dien-1-yl)-4-propan-2-ylbenzene (CID 142940851) is ethane;1-(4-ethylcyclopenta-1,3-dien-1-yl)-4-propan-2-ylbenzene.
What is the SMILES notation for ethane;1-(4-ethylcyclopenta-1,3-dien-1-yl)-4-propan-2-ylbenzene?
The canonical SMILES for ethane;1-(4-ethylcyclopenta-1,3-dien-1-yl)-4-propan-2-ylbenzene is CC.CCC1=CC=C(c2ccc(C(C)C)cc2)C1.
What is the InChIKey of ethane;1-(4-ethylcyclopenta-1,3-dien-1-yl)-4-propan-2-ylbenzene?
The InChIKey is ILILBPUCTGWLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20.C2H6/c1-4-13-5-6-16(11-13)15-9-7-14(8-10-15)12(2)3;1-2/h5-10,12H,4,11H2,1-3H3;1-2H3.
What are the key properties of ethane;1-(4-ethylcyclopenta-1,3-dien-1-yl)-4-propan-2-ylbenzene?
ethane;1-(4-ethylcyclopenta-1,3-dien-1-yl)-4-propan-2-ylbenzene has a molecular weight of 242.41 g/mol, XLogP of 5.96, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-ethylcyclopenta-1,3-dien-1-yl)-4-propan-2-ylbenzene is sourced from PubChem (CID 142940851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).