1,2-diethylbenzene;propa-1,2-diene

C13H18 — CID 174831347

IUPAC1,2-diethylbenzene;propa-1,2-diene
SMILESC=C=C.CCc1ccccc1CC
InChIInChI=1S/C10H14.C3H4/c1-3-9-7-5-6-8-10(9)4-2;1-3-2/h5-8H,3-4H2,1-2H3;1-2H2
InChIKeyDXDPABZYYBJCSS-UHFFFAOYSA-N
MW174.29 g/mol
LogP3.77
Rot. Bonds2

About 1,2-diethylbenzene;propa-1,2-diene

1,2-diethylbenzene;propa-1,2-diene (PubChem CID 174831347) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 1,2-diethylbenzene;propa-1,2-diene.

Molecular Properties

Compound Name1,2-diethylbenzene;propa-1,2-diene
PubChem CID174831347
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name1,2-diethylbenzene;propa-1,2-diene
SMILESC=C=C.CCc1ccccc1CC
InChIInChI=1S/C10H14.C3H4/c1-3-9-7-5-6-8-10(9)4-2;1-3-2/h5-8H,3-4H2,1-2H3;1-2H2
InChIKeyDXDPABZYYBJCSS-UHFFFAOYSA-N
XLogP3.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 174973685
carbonic acid;1,2-diethylbenzene
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1,2-diethylbenzene;silyloxysilane
CID 158803052
benzene;1,2-diethylbenzene;1,2-xylene
CID 174742983
1,2-diethylbenzene;propanal
CID 174478177
1-(chloromethyl)-2-ethylbenzene
CID 524243
1,2-diethylbenzene;formamide
CID 157370947
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CID 126763351
1,2-diethylbenzene;2-methylidenepropanedioic acid
CID 174498870
1,2-diethylbenzene;ethylbenzene;molybdenum
CID 174058694
3-(2-ethylphenyl)propanenitrile
CID 66922465
1,2-diethylbenzene;1,4-dimethylcyclohexane
CID 142228373

Frequently Asked Questions

What is the IUPAC name of 1,2-diethylbenzene;propa-1,2-diene?
The IUPAC name of 1,2-diethylbenzene;propa-1,2-diene (CID 174831347) is 1,2-diethylbenzene;propa-1,2-diene.
What is the SMILES notation for 1,2-diethylbenzene;propa-1,2-diene?
The canonical SMILES for 1,2-diethylbenzene;propa-1,2-diene is C=C=C.CCc1ccccc1CC.
What is the InChIKey of 1,2-diethylbenzene;propa-1,2-diene?
The InChIKey is DXDPABZYYBJCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.C3H4/c1-3-9-7-5-6-8-10(9)4-2;1-3-2/h5-8H,3-4H2,1-2H3;1-2H2.
What are the key properties of 1,2-diethylbenzene;propa-1,2-diene?
1,2-diethylbenzene;propa-1,2-diene has a molecular weight of 174.29 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethylbenzene;propa-1,2-diene is sourced from PubChem (CID 174831347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).