acetic acid;1-butyl-2-ethenylbenzene

C14H20O2 — CID 174903313

IUPACacetic acid;1-butyl-2-ethenylbenzene
SMILESC=Cc1ccccc1CCCC.CC(=O)O
InChIInChI=1S/C12H16.C2H4O2/c1-3-5-8-12-10-7-6-9-11(12)4-2;1-2(3)4/h4,6-7,9-10H,2-3,5,8H2,1H3;1H3,(H,3,4)
InChIKeyCVQOSGVEBJRXHZ-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.76
Rot. Bonds4

About acetic acid;1-butyl-2-ethenylbenzene

acetic acid;1-butyl-2-ethenylbenzene (PubChem CID 174903313) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is acetic acid;1-butyl-2-ethenylbenzene.

Molecular Properties

Compound Nameacetic acid;1-butyl-2-ethenylbenzene
PubChem CID174903313
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Nameacetic acid;1-butyl-2-ethenylbenzene
SMILESC=Cc1ccccc1CCCC.CC(=O)O
InChIInChI=1S/C12H16.C2H4O2/c1-3-5-8-12-10-7-6-9-11(12)4-2;1-2(3)4/h4,6-7,9-10H,2-3,5,8H2,1H3;1H3,(H,3,4)
InChIKeyCVQOSGVEBJRXHZ-UHFFFAOYSA-N
XLogP3.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethenyl-2-pentylbenzene
CID 22171756
1-butyl-2-ethenylbenzene;2-ethoxyacetic acid
CID 174381438
acetonitrile;1-butyl-2-ethenylbenzene
CID 18674742
5-(2-ethenylphenyl)pentanoic acid
CID 91512730
1-butyl-2-ethenylbenzene;1-butyl-4-ethenylbenzene
CID 158873338
1-ethenyl-2-[5-(2-ethenylphenyl)pentyl]benzene
CID 22572053
1,2-diphenylethane-1,2-dione;1-ethenyl-2-ethylbenzene
CID 174766934
1-butyl-2-chloro-3-ethenylbenzene
CID 174299293
(2-butyl-6-ethenylphenyl)methanamine
CID 70520370
6-(2-ethenylphenyl)hexane-2,4-dione
CID 21392231
(2E,4E)-5-(2-pentylphenyl)penta-2,4-dienoic acid
CID 135262732
1,2-bis(ethenyl)benzene;1-ethenyl-2-ethylbenzene
CID 18622340

Frequently Asked Questions

What is the IUPAC name of acetic acid;1-butyl-2-ethenylbenzene?
The IUPAC name of acetic acid;1-butyl-2-ethenylbenzene (CID 174903313) is acetic acid;1-butyl-2-ethenylbenzene.
What is the SMILES notation for acetic acid;1-butyl-2-ethenylbenzene?
The canonical SMILES for acetic acid;1-butyl-2-ethenylbenzene is C=Cc1ccccc1CCCC.CC(=O)O.
What is the InChIKey of acetic acid;1-butyl-2-ethenylbenzene?
The InChIKey is CVQOSGVEBJRXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16.C2H4O2/c1-3-5-8-12-10-7-6-9-11(12)4-2;1-2(3)4/h4,6-7,9-10H,2-3,5,8H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;1-butyl-2-ethenylbenzene?
acetic acid;1-butyl-2-ethenylbenzene has a molecular weight of 220.31 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-butyl-2-ethenylbenzene is sourced from PubChem (CID 174903313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).