(E)-hex-2-enoic acid

C6H10O2 — CID 5282707

IUPAC(E)-hex-2-enoic acid
SMILESCCC/C=C/C(=O)O
InChIInChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h4-5H,2-3H2,1H3,(H,7,8)/b5-4+
InChIKeyNIONDZDPPYHYKY-SNAWJCMRSA-N
MW114.14 g/mol
LogP1.43
Rot. Bonds3

About (E)-hex-2-enoic acid

(E)-hex-2-enoic acid (PubChem CID 5282707) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is (E)-hex-2-enoic acid.

Molecular Properties

Compound Name(E)-hex-2-enoic acid
PubChem CID5282707
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name(E)-hex-2-enoic acid
SMILESCCC/C=C/C(=O)O
InChIInChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h4-5H,2-3H2,1H3,(H,7,8)/b5-4+
InChIKeyNIONDZDPPYHYKY-SNAWJCMRSA-N
XLogP1.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

docosakis(hex-2-enoic acid);phosphane
CID 174896095
(Z)-oct-2-enoic acid
CID 5282713
CID 158204021
CID 158204021
zinc;hept-2-enoic acid;oxygen(2-)
CID 160568459
(E)-oct-2-enoic acid;zirconium
CID 89456417
(2E,6E,10E,14E,18E)-tricosa-2,6,10,14,18-pentaenoic acid
CID 21286858
iron;(E)-oct-2-enoic acid
CID 89456364
undec-2-enoic acid
CID 519180
(4E,7E)-undeca-4,7-dien-6-one
CID 23366329
bis(heptadec-2-enoic acid);zinc
CID 172555643
icosa-2,11-dienoic acid
CID 54537818
cyclopentane;(E)-hept-2-enoic acid
CID 66887361

Frequently Asked Questions

What is the IUPAC name of (E)-hex-2-enoic acid?
The IUPAC name of (E)-hex-2-enoic acid (CID 5282707) is (E)-hex-2-enoic acid.
What is the SMILES notation for (E)-hex-2-enoic acid?
The canonical SMILES for (E)-hex-2-enoic acid is CCC/C=C/C(=O)O.
What is the InChIKey of (E)-hex-2-enoic acid?
The InChIKey is NIONDZDPPYHYKY-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h4-5H,2-3H2,1H3,(H,7,8)/b5-4+.
What are the key properties of (E)-hex-2-enoic acid?
(E)-hex-2-enoic acid has a molecular weight of 114.14 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-hex-2-enoic acid is sourced from PubChem (CID 5282707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).