1-cyclohexa-1,5-dien-1-yl-4-propan-2-ylbenzene;ethane

C17H24 — CID 142540149

IUPAC1-cyclohexa-1,5-dien-1-yl-4-propan-2-ylbenzene;ethane
SMILESCC.CC(C)c1ccc(C2=CCCC=C2)cc1
InChIInChI=1S/C15H18.C2H6/c1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-2/h4,6-12H,3,5H2,1-2H3;1-2H3
InChIKeyZTYZTCOCHZDYEH-UHFFFAOYSA-N
MW228.38 g/mol
LogP5.57
Rot. Bonds2

About 1-cyclohexa-1,5-dien-1-yl-4-propan-2-ylbenzene;ethane

1-cyclohexa-1,5-dien-1-yl-4-propan-2-ylbenzene;ethane (PubChem CID 142540149) has the molecular formula C17H24 and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yl-4-propan-2-ylbenzene;ethane.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-yl-4-propan-2-ylbenzene;ethane
PubChem CID142540149
Molecular FormulaC17H24
Molecular Weight228.38 g/mol
Exact Mass228.19
IUPAC Name1-cyclohexa-1,5-dien-1-yl-4-propan-2-ylbenzene;ethane
SMILESCC.CC(C)c1ccc(C2=CCCC=C2)cc1
InChIInChI=1S/C15H18.C2H6/c1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-2/h4,6-12H,3,5H2,1-2H3;1-2H3
InChIKeyZTYZTCOCHZDYEH-UHFFFAOYSA-N
XLogP5.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.38
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-yl-4-propan-2-ylbenzene;ethane?
The IUPAC name of 1-cyclohexa-1,5-dien-1-yl-4-propan-2-ylbenzene;ethane (CID 142540149) is 1-cyclohexa-1,5-dien-1-yl-4-propan-2-ylbenzene;ethane.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yl-4-propan-2-ylbenzene;ethane?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-yl-4-propan-2-ylbenzene;ethane is CC.CC(C)c1ccc(C2=CCCC=C2)cc1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-yl-4-propan-2-ylbenzene;ethane?
The InChIKey is ZTYZTCOCHZDYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18.C2H6/c1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-2/h4,6-12H,3,5H2,1-2H3;1-2H3.
What are the key properties of 1-cyclohexa-1,5-dien-1-yl-4-propan-2-ylbenzene;ethane?
1-cyclohexa-1,5-dien-1-yl-4-propan-2-ylbenzene;ethane has a molecular weight of 228.38 g/mol, XLogP of 5.57, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-yl-4-propan-2-ylbenzene;ethane is sourced from PubChem (CID 142540149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).