4-[(E)-hept-2-en-2-yl]oxybutanoic acid

C11H20O3 — CID 142940383

IUPAC4-[(E)-hept-2-en-2-yl]oxybutanoic acid
SMILESCCCC/C=C(\C)OCCCC(=O)O
InChIInChI=1S/C11H20O3/c1-3-4-5-7-10(2)14-9-6-8-11(12)13/h7H,3-6,8-9H2,1-2H3,(H,12,13)/b10-7+
InChIKeyWOBPTLKNBHYLRN-JXMROGBWSA-N
MW200.28 g/mol
LogP2.96
Rot. Bonds8

About 4-[(E)-hept-2-en-2-yl]oxybutanoic acid

4-[(E)-hept-2-en-2-yl]oxybutanoic acid (PubChem CID 142940383) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 4-[(E)-hept-2-en-2-yl]oxybutanoic acid.

Molecular Properties

Compound Name4-[(E)-hept-2-en-2-yl]oxybutanoic acid
PubChem CID142940383
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name4-[(E)-hept-2-en-2-yl]oxybutanoic acid
SMILESCCCC/C=C(\C)OCCCC(=O)O
InChIInChI=1S/C11H20O3/c1-3-4-5-7-10(2)14-9-6-8-11(12)13/h7H,3-6,8-9H2,1-2H3,(H,12,13)/b10-7+
InChIKeyWOBPTLKNBHYLRN-JXMROGBWSA-N
XLogP2.96
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[(Z)-dodec-7-enyl] acetate;(Z)-tetradec-9-enoic acid
CID 157118571
(E)-9-acetyltetradec-9-enoic acid
CID 87201562
pentanoic acid;stannane
CID 173249748
icosanoic acid;octadecyl acetate
CID 160822972
3-butoxycarbonyloct-3-enoic acid
CID 54112020
23-[(Z)-tetradec-9-enoyl]oxytricosanoic acid
CID 166097747
pentadec-6-enoic acid;tridec-4-enyl acetate
CID 159316398
ethane;[1-(4-fluorophenyl)-3-[1-(4-fluorophenyl)azetidin-3-yl]propyl] acetate;4-[(E)-hept-2-en-2-yl]oxybutanoic acid
CID 142940381
6,7-dimethyloct-5-enoic acid
CID 162716838
acetic acid;pentanoic acid
CID 87061456
pentadeca-5,10-dienoic acid
CID 535083
12-heptoxycarbonyloxydodecanoic acid
CID 57225474

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-hept-2-en-2-yl]oxybutanoic acid?
The IUPAC name of 4-[(E)-hept-2-en-2-yl]oxybutanoic acid (CID 142940383) is 4-[(E)-hept-2-en-2-yl]oxybutanoic acid.
What is the SMILES notation for 4-[(E)-hept-2-en-2-yl]oxybutanoic acid?
The canonical SMILES for 4-[(E)-hept-2-en-2-yl]oxybutanoic acid is CCCC/C=C(\C)OCCCC(=O)O.
What is the InChIKey of 4-[(E)-hept-2-en-2-yl]oxybutanoic acid?
The InChIKey is WOBPTLKNBHYLRN-JXMROGBWSA-N. The full InChI is InChI=1S/C11H20O3/c1-3-4-5-7-10(2)14-9-6-8-11(12)13/h7H,3-6,8-9H2,1-2H3,(H,12,13)/b10-7+.
What are the key properties of 4-[(E)-hept-2-en-2-yl]oxybutanoic acid?
4-[(E)-hept-2-en-2-yl]oxybutanoic acid has a molecular weight of 200.28 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-hept-2-en-2-yl]oxybutanoic acid is sourced from PubChem (CID 142940383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).