1-[1-(1-ethylcyclohexa-2,4-dien-1-yl)ethenyl]-2-propylbenzene

C19H24 — CID 154414080

IUPAC1-[1-(1-ethylcyclohexa-2,4-dien-1-yl)ethenyl]-2-propylbenzene
SMILESC=C(c1ccccc1CCC)C1(CC)C=CC=CC1
InChIInChI=1S/C19H24/c1-4-11-17-12-7-8-13-18(17)16(3)19(5-2)14-9-6-10-15-19/h6-10,12-14H,3-5,11,15H2,1-2H3
InChIKeyJUUIVMISWLUYQQ-UHFFFAOYSA-N
MW252.40 g/mol
LogP5.56
Rot. Bonds5

About 1-[1-(1-ethylcyclohexa-2,4-dien-1-yl)ethenyl]-2-propylbenzene

1-[1-(1-ethylcyclohexa-2,4-dien-1-yl)ethenyl]-2-propylbenzene (PubChem CID 154414080) has the molecular formula C19H24 and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-[1-(1-ethylcyclohexa-2,4-dien-1-yl)ethenyl]-2-propylbenzene.

Molecular Properties

Compound Name1-[1-(1-ethylcyclohexa-2,4-dien-1-yl)ethenyl]-2-propylbenzene
PubChem CID154414080
Molecular FormulaC19H24
Molecular Weight252.40 g/mol
Exact Mass252.19
IUPAC Name1-[1-(1-ethylcyclohexa-2,4-dien-1-yl)ethenyl]-2-propylbenzene
SMILESC=C(c1ccccc1CCC)C1(CC)C=CC=CC1
InChIInChI=1S/C19H24/c1-4-11-17-12-7-8-13-18(17)16(3)19(5-2)14-9-6-10-15-19/h6-10,12-14H,3-5,11,15H2,1-2H3
InChIKeyJUUIVMISWLUYQQ-UHFFFAOYSA-N
XLogP5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.40
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-ethylcyclohexa-2,4-dien-1-yl)ethenyl]-2-propylbenzene?
The IUPAC name of 1-[1-(1-ethylcyclohexa-2,4-dien-1-yl)ethenyl]-2-propylbenzene (CID 154414080) is 1-[1-(1-ethylcyclohexa-2,4-dien-1-yl)ethenyl]-2-propylbenzene.
What is the SMILES notation for 1-[1-(1-ethylcyclohexa-2,4-dien-1-yl)ethenyl]-2-propylbenzene?
The canonical SMILES for 1-[1-(1-ethylcyclohexa-2,4-dien-1-yl)ethenyl]-2-propylbenzene is C=C(c1ccccc1CCC)C1(CC)C=CC=CC1.
What is the InChIKey of 1-[1-(1-ethylcyclohexa-2,4-dien-1-yl)ethenyl]-2-propylbenzene?
The InChIKey is JUUIVMISWLUYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24/c1-4-11-17-12-7-8-13-18(17)16(3)19(5-2)14-9-6-10-15-19/h6-10,12-14H,3-5,11,15H2,1-2H3.
What are the key properties of 1-[1-(1-ethylcyclohexa-2,4-dien-1-yl)ethenyl]-2-propylbenzene?
1-[1-(1-ethylcyclohexa-2,4-dien-1-yl)ethenyl]-2-propylbenzene has a molecular weight of 252.40 g/mol, XLogP of 5.56, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-ethylcyclohexa-2,4-dien-1-yl)ethenyl]-2-propylbenzene is sourced from PubChem (CID 154414080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).