1-ethenyl-2-ethyl-3-prop-1-enylbenzene

C13H16 — CID 90726745

IUPAC1-ethenyl-2-ethyl-3-prop-1-enylbenzene
SMILESC=Cc1cccc(C=CC)c1CC
InChIInChI=1S/C13H16/c1-4-8-12-10-7-9-11(5-2)13(12)6-3/h4-5,7-10H,2,6H2,1,3H3
InChIKeyLNRILVBADYZGEZ-UHFFFAOYSA-N
MW172.27 g/mol
LogP3.93
Rot. Bonds3

About 1-ethenyl-2-ethyl-3-prop-1-enylbenzene

1-ethenyl-2-ethyl-3-prop-1-enylbenzene (PubChem CID 90726745) has the molecular formula C13H16 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-ethenyl-2-ethyl-3-prop-1-enylbenzene.

Molecular Properties

Compound Name1-ethenyl-2-ethyl-3-prop-1-enylbenzene
PubChem CID90726745
Molecular FormulaC13H16
Molecular Weight172.27 g/mol
Exact Mass172.13
IUPAC Name1-ethenyl-2-ethyl-3-prop-1-enylbenzene
SMILESC=Cc1cccc(C=CC)c1CC
InChIInChI=1S/C13H16/c1-4-8-12-10-7-9-11(5-2)13(12)6-3/h4-5,7-10H,2,6H2,1,3H3
InChIKeyLNRILVBADYZGEZ-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-bis(ethenyl)-2-ethylbenzene;prop-1-en-2-ylbenzene
CID 173010088
ethane;1-ethenyl-2-[(Z)-prop-1-enyl]benzene;methylphosphane;propane
CID 142250050
1-bromo-2-ethenyl-3-[(Z)-prop-1-enyl]benzene;butane
CID 142595555
2-(hydroxymethyl)-3-[(E)-prop-1-enyl]phenol
CID 10313264
2-ethyl-1-propan-2-yloxy-3-prop-1-enylbenzene
CID 90838901
1-ethenyl-2-[(Z)-prop-1-enyl]benzene;N-ethylpropan-1-amine
CID 156725547
3-ethenyl-2-ethylbenzoic acid
CID 70289721
1,5-bis(prop-1-enyl)naphthalene
CID 139669430
1,2,3-tris[(Z)-prop-1-enyl]benzene
CID 173113389
sodium 3-ethenyl-2-ethylbenzenesulfonate
CID 88933140
6-ethenyl-18-[(E)-prop-1-enyl]-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 134443510
2-nonyl-3-prop-1-enylphenol
CID 140652201

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-ethyl-3-prop-1-enylbenzene?
The IUPAC name of 1-ethenyl-2-ethyl-3-prop-1-enylbenzene (CID 90726745) is 1-ethenyl-2-ethyl-3-prop-1-enylbenzene.
What is the SMILES notation for 1-ethenyl-2-ethyl-3-prop-1-enylbenzene?
The canonical SMILES for 1-ethenyl-2-ethyl-3-prop-1-enylbenzene is C=Cc1cccc(C=CC)c1CC.
What is the InChIKey of 1-ethenyl-2-ethyl-3-prop-1-enylbenzene?
The InChIKey is LNRILVBADYZGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16/c1-4-8-12-10-7-9-11(5-2)13(12)6-3/h4-5,7-10H,2,6H2,1,3H3.
What are the key properties of 1-ethenyl-2-ethyl-3-prop-1-enylbenzene?
1-ethenyl-2-ethyl-3-prop-1-enylbenzene has a molecular weight of 172.27 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-ethyl-3-prop-1-enylbenzene is sourced from PubChem (CID 90726745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).