(Z)-6-(oxan-2-yloxy)non-2-enoic acid

C14H24O4 — CID 101108345

IUPAC(Z)-6-(oxan-2-yloxy)non-2-enoic acid
SMILESCCCC(CC/C=C\C(=O)O)OC1CCCCO1
InChIInChI=1S/C14H24O4/c1-2-7-12(8-3-4-9-13(15)16)18-14-10-5-6-11-17-14/h4,9,12,14H,2-3,5-8,10-11H2,1H3,(H,15,16)/b9-4-
InChIKeyZTXVXXSIKHCVBH-WTKPLQERSA-N
MW256.34 g/mol
LogP3.12
Rot. Bonds8

About (Z)-6-(oxan-2-yloxy)non-2-enoic acid

(Z)-6-(oxan-2-yloxy)non-2-enoic acid (PubChem CID 101108345) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is (Z)-6-(oxan-2-yloxy)non-2-enoic acid.

Molecular Properties

Compound Name(Z)-6-(oxan-2-yloxy)non-2-enoic acid
PubChem CID101108345
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name(Z)-6-(oxan-2-yloxy)non-2-enoic acid
SMILESCCCC(CC/C=C\C(=O)O)OC1CCCCO1
InChIInChI=1S/C14H24O4/c1-2-7-12(8-3-4-9-13(15)16)18-14-10-5-6-11-17-14/h4,9,12,14H,2-3,5-8,10-11H2,1H3,(H,15,16)/b9-4-
InChIKeyZTXVXXSIKHCVBH-WTKPLQERSA-N
XLogP3.12
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-(oxan-2-yloxy)hexan-1-ol
CID 67829431
(4R)-4-(oxan-2-yloxy)nonanal
CID 54007361
(E)-7-(oxan-2-yloxy)-4-oxooct-2-enoic acid
CID 10634810
[(E,6S)-6,7-bis(oxan-2-yloxy)hept-2-enyl] acetate
CID 11394180
(E)-14-(oxan-2-yloxy)tetradec-2-enoic acid
CID 71244577
(E)-5-(oxan-2-yloxy)-4-oxohex-2-enoic acid
CID 10823217
(E)-5-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]pent-2-enoic acid
CID 139578710
2-[(3R)-octan-3-yl]oxyoxane
CID 145000966
2-[(2R)-oxan-2-yl]oxyhexanoic acid
CID 101196631
2-[3-[(2R)-oxan-2-yl]oxyheptanoyl]dodecanoic acid
CID 54308956
2-hexyl-3-hydroxy-5-(oxan-2-yloxy)hexadecanoic acid
CID 14852585
2-hexyl-3-hydroxy-5-[(2R)-oxan-2-yl]oxyhexadecanoic acid
CID 18639601

Frequently Asked Questions

What is the IUPAC name of (Z)-6-(oxan-2-yloxy)non-2-enoic acid?
The IUPAC name of (Z)-6-(oxan-2-yloxy)non-2-enoic acid (CID 101108345) is (Z)-6-(oxan-2-yloxy)non-2-enoic acid.
What is the SMILES notation for (Z)-6-(oxan-2-yloxy)non-2-enoic acid?
The canonical SMILES for (Z)-6-(oxan-2-yloxy)non-2-enoic acid is CCCC(CC/C=C\C(=O)O)OC1CCCCO1.
What is the InChIKey of (Z)-6-(oxan-2-yloxy)non-2-enoic acid?
The InChIKey is ZTXVXXSIKHCVBH-WTKPLQERSA-N. The full InChI is InChI=1S/C14H24O4/c1-2-7-12(8-3-4-9-13(15)16)18-14-10-5-6-11-17-14/h4,9,12,14H,2-3,5-8,10-11H2,1H3,(H,15,16)/b9-4-.
What are the key properties of (Z)-6-(oxan-2-yloxy)non-2-enoic acid?
(Z)-6-(oxan-2-yloxy)non-2-enoic acid has a molecular weight of 256.34 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-(oxan-2-yloxy)non-2-enoic acid is sourced from PubChem (CID 101108345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).