(2-ethylcyclopenta-1,3-dien-1-yl)benzene

C13H14 — CID 139667599

IUPAC(2-ethylcyclopenta-1,3-dien-1-yl)benzene
SMILESCCC1=C(c2ccccc2)CC=C1
InChIInChI=1S/C13H14/c1-2-11-9-6-10-13(11)12-7-4-3-5-8-12/h3-9H,2,10H2,1H3
InChIKeyFZCALUKNXDPYNK-UHFFFAOYSA-N
MW170.25 g/mol
LogP3.81
Rot. Bonds2

About (2-ethylcyclopenta-1,3-dien-1-yl)benzene

(2-ethylcyclopenta-1,3-dien-1-yl)benzene (PubChem CID 139667599) has the molecular formula C13H14 and a molecular weight of 170.25 g/mol. Its IUPAC name is (2-ethylcyclopenta-1,3-dien-1-yl)benzene.

Molecular Properties

Compound Name(2-ethylcyclopenta-1,3-dien-1-yl)benzene
PubChem CID139667599
Molecular FormulaC13H14
Molecular Weight170.25 g/mol
Exact Mass170.11
IUPAC Name(2-ethylcyclopenta-1,3-dien-1-yl)benzene
SMILESCCC1=C(c2ccccc2)CC=C1
InChIInChI=1S/C13H14/c1-2-11-9-6-10-13(11)12-7-4-3-5-8-12/h3-9H,2,10H2,1H3
InChIKeyFZCALUKNXDPYNK-UHFFFAOYSA-N
XLogP3.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

6-ethyl-4-phenyl-1,5-dihydropentalene
CID 15636400
trimethyl-(2-phenylcyclopenta-1,4-dien-1-yl)silane
CID 159054815
2-ethyl-6,6-dimethyl-1-phenylcyclohexa-1,3-diene
CID 150694996
[1-(2-ethylcyclopenta-1,3-dien-1-yl)-1-phenylpentyl]benzene
CID 140630327
CID 161173679
CID 161173679
2-ethyl-1-[(2-ethylcyclopenta-1,3-dien-1-yl)methyl]cyclopenta-1,3-diene
CID 19381548
trimethyl-(2-phenylcyclohexa-1,4-dien-1-yl)silane
CID 71345894
(2-ethyl-4,5-diphenylcyclopenta-1,4-dien-1-yl)benzene
CID 139667466
1-phenyl-2-(2-phenylcyclopenta-1,3-dien-1-yl)benzene
CID 174368476
1,4-bis(2-methylcyclopenta-1,3-dien-1-yl)benzene
CID 173322239
13-(2-phenylcyclopenta-1,4-dien-1-yl)-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 71198464
N,N-dimethyl-1-(2-triphenylsilylcyclopenta-1,4-dien-1-yl)methanamine
CID 137231043

Frequently Asked Questions

What is the IUPAC name of (2-ethylcyclopenta-1,3-dien-1-yl)benzene?
The IUPAC name of (2-ethylcyclopenta-1,3-dien-1-yl)benzene (CID 139667599) is (2-ethylcyclopenta-1,3-dien-1-yl)benzene.
What is the SMILES notation for (2-ethylcyclopenta-1,3-dien-1-yl)benzene?
The canonical SMILES for (2-ethylcyclopenta-1,3-dien-1-yl)benzene is CCC1=C(c2ccccc2)CC=C1.
What is the InChIKey of (2-ethylcyclopenta-1,3-dien-1-yl)benzene?
The InChIKey is FZCALUKNXDPYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14/c1-2-11-9-6-10-13(11)12-7-4-3-5-8-12/h3-9H,2,10H2,1H3.
What are the key properties of (2-ethylcyclopenta-1,3-dien-1-yl)benzene?
(2-ethylcyclopenta-1,3-dien-1-yl)benzene has a molecular weight of 170.25 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylcyclopenta-1,3-dien-1-yl)benzene is sourced from PubChem (CID 139667599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).