(4-ethylcyclohexa-1,5-dien-1-yl)benzene

C14H16 — CID 143614396

IUPAC(4-ethylcyclohexa-1,5-dien-1-yl)benzene
SMILESCCC1C=CC(c2ccccc2)=CC1
InChIInChI=1S/C14H16/c1-2-12-8-10-14(11-9-12)13-6-4-3-5-7-13/h3-8,10-12H,2,9H2,1H3
InChIKeyISUNBPBGUVJKOE-UHFFFAOYSA-N
MW184.28 g/mol
LogP4.06
Rot. Bonds2

About (4-ethylcyclohexa-1,5-dien-1-yl)benzene

(4-ethylcyclohexa-1,5-dien-1-yl)benzene (PubChem CID 143614396) has the molecular formula C14H16 and a molecular weight of 184.28 g/mol. Its IUPAC name is (4-ethylcyclohexa-1,5-dien-1-yl)benzene.

Molecular Properties

Compound Name(4-ethylcyclohexa-1,5-dien-1-yl)benzene
PubChem CID143614396
Molecular FormulaC14H16
Molecular Weight184.28 g/mol
Exact Mass184.13
IUPAC Name(4-ethylcyclohexa-1,5-dien-1-yl)benzene
SMILESCCC1C=CC(c2ccccc2)=CC1
InChIInChI=1S/C14H16/c1-2-12-8-10-14(11-9-12)13-6-4-3-5-7-13/h3-8,10-12H,2,9H2,1H3
InChIKeyISUNBPBGUVJKOE-UHFFFAOYSA-N
XLogP4.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (4-ethylcyclohexa-1,5-dien-1-yl)benzene?
The IUPAC name of (4-ethylcyclohexa-1,5-dien-1-yl)benzene (CID 143614396) is (4-ethylcyclohexa-1,5-dien-1-yl)benzene.
What is the SMILES notation for (4-ethylcyclohexa-1,5-dien-1-yl)benzene?
The canonical SMILES for (4-ethylcyclohexa-1,5-dien-1-yl)benzene is CCC1C=CC(c2ccccc2)=CC1.
What is the InChIKey of (4-ethylcyclohexa-1,5-dien-1-yl)benzene?
The InChIKey is ISUNBPBGUVJKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16/c1-2-12-8-10-14(11-9-12)13-6-4-3-5-7-13/h3-8,10-12H,2,9H2,1H3.
What are the key properties of (4-ethylcyclohexa-1,5-dien-1-yl)benzene?
(4-ethylcyclohexa-1,5-dien-1-yl)benzene has a molecular weight of 184.28 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylcyclohexa-1,5-dien-1-yl)benzene is sourced from PubChem (CID 143614396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).