3-(3-ethylcyclopenta-1,4-dien-1-yl)propylbenzene

C16H20 — CID 145170282

IUPAC3-(3-ethylcyclopenta-1,4-dien-1-yl)propylbenzene
SMILESCCC1C=CC(CCCc2ccccc2)=C1
InChIInChI=1S/C16H20/c1-2-14-11-12-16(13-14)10-6-9-15-7-4-3-5-8-15/h3-5,7-8,11-14H,2,6,9-10H2,1H3
InChIKeyPGRPLOHOSOTMNB-UHFFFAOYSA-N
MW212.34 g/mol
LogP4.53
Rot. Bonds5

About 3-(3-ethylcyclopenta-1,4-dien-1-yl)propylbenzene

3-(3-ethylcyclopenta-1,4-dien-1-yl)propylbenzene (PubChem CID 145170282) has the molecular formula C16H20 and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-(3-ethylcyclopenta-1,4-dien-1-yl)propylbenzene.

Molecular Properties

Compound Name3-(3-ethylcyclopenta-1,4-dien-1-yl)propylbenzene
PubChem CID145170282
Molecular FormulaC16H20
Molecular Weight212.34 g/mol
Exact Mass212.16
IUPAC Name3-(3-ethylcyclopenta-1,4-dien-1-yl)propylbenzene
SMILESCCC1C=CC(CCCc2ccccc2)=C1
InChIInChI=1S/C16H20/c1-2-14-11-12-16(13-14)10-6-9-15-7-4-3-5-8-15/h3-5,7-8,11-14H,2,6,9-10H2,1H3
InChIKeyPGRPLOHOSOTMNB-UHFFFAOYSA-N
XLogP4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,4-bis(3-phenylpropyl)benzene
CID 59467322
CID 159131095
CID 159131095
4-phenylbutylbenzene
CID 141301927
ethane;bis(2-ethyloxirane);3-phenylpropylbenzene
CID 159337252
methane;4-phenylbutylbenzene
CID 173386802
hafnium;4-phenylbutylbenzene
CID 175889972
octylbenzene
CID 16607
octacosylbenzene
CID 14228596
1,3-bis(2-phenylethyl)benzene;1,4-bis(2-phenylethyl)benzene;1,3-bis(3-phenylpropyl)benzene;1,4-bis(3-phenylpropyl)benzene
CID 161066607
pentadecane;pentadecylbenzene
CID 174970881
butylbenzene;propylbenzene
CID 142022125
octaoctacontylbenzene
CID 165359374

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylcyclopenta-1,4-dien-1-yl)propylbenzene?
The IUPAC name of 3-(3-ethylcyclopenta-1,4-dien-1-yl)propylbenzene (CID 145170282) is 3-(3-ethylcyclopenta-1,4-dien-1-yl)propylbenzene.
What is the SMILES notation for 3-(3-ethylcyclopenta-1,4-dien-1-yl)propylbenzene?
The canonical SMILES for 3-(3-ethylcyclopenta-1,4-dien-1-yl)propylbenzene is CCC1C=CC(CCCc2ccccc2)=C1.
What is the InChIKey of 3-(3-ethylcyclopenta-1,4-dien-1-yl)propylbenzene?
The InChIKey is PGRPLOHOSOTMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20/c1-2-14-11-12-16(13-14)10-6-9-15-7-4-3-5-8-15/h3-5,7-8,11-14H,2,6,9-10H2,1H3.
What are the key properties of 3-(3-ethylcyclopenta-1,4-dien-1-yl)propylbenzene?
3-(3-ethylcyclopenta-1,4-dien-1-yl)propylbenzene has a molecular weight of 212.34 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylcyclopenta-1,4-dien-1-yl)propylbenzene is sourced from PubChem (CID 145170282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).