(Z)-9-(oxan-2-yloxy)non-7-enoic acid

C14H24O4 — CID 71310420

IUPAC(Z)-9-(oxan-2-yloxy)non-7-enoic acid
SMILESO=C(O)CCCCC/C=C\COC1CCCCO1
InChIInChI=1S/C14H24O4/c15-13(16)9-5-3-1-2-4-7-11-17-14-10-6-8-12-18-14/h4,7,14H,1-3,5-6,8-12H2,(H,15,16)/b7-4-
InChIKeyMKGQEWYBIRMAEK-DAXSKMNVSA-N
MW256.34 g/mol
LogP3.12
Rot. Bonds9

About (Z)-9-(oxan-2-yloxy)non-7-enoic acid

(Z)-9-(oxan-2-yloxy)non-7-enoic acid (PubChem CID 71310420) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is (Z)-9-(oxan-2-yloxy)non-7-enoic acid.

Molecular Properties

Compound Name(Z)-9-(oxan-2-yloxy)non-7-enoic acid
PubChem CID71310420
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name(Z)-9-(oxan-2-yloxy)non-7-enoic acid
SMILESO=C(O)CCCCC/C=C\COC1CCCCO1
InChIInChI=1S/C14H24O4/c15-13(16)9-5-3-1-2-4-7-11-17-14-10-6-8-12-18-14/h4,7,14H,1-3,5-6,8-12H2,(H,15,16)/b7-4-
InChIKeyMKGQEWYBIRMAEK-DAXSKMNVSA-N
XLogP3.12
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

14-(oxan-2-yloxy)tetradecanoic acid
CID 54500619
2-(8-chlorooct-2-enoxy)oxane
CID 71417540
(E)-7-(oxan-2-yloxy)hept-5-en-2-one
CID 10632332
2-[(E)-4-(oxan-2-yloxy)but-2-enoxy]oxane
CID 14103518
2-[(E)-hept-2-enoxy]oxane
CID 12861157
methyl (Z)-6-(oxan-2-yloxy)hex-4-enoate
CID 11310730
(E)-14-(oxan-2-yloxy)tetradec-2-enoic acid
CID 71244577
ethyl 10-(oxan-2-yloxy)dec-7-enoate
CID 71375954
(E)-2,12-bis(oxan-2-yloxy)dodec-10-en-6-one
CID 102126737
2-[(E)-5-iodopent-2-enoxy]oxane
CID 12871483
(2R)-2-[(E)-5-bromopent-2-enoxy]oxane
CID 125476035
2-[(E)-7,7-diiodohept-2-enoxy]oxane
CID 45278178

Frequently Asked Questions

What is the IUPAC name of (Z)-9-(oxan-2-yloxy)non-7-enoic acid?
The IUPAC name of (Z)-9-(oxan-2-yloxy)non-7-enoic acid (CID 71310420) is (Z)-9-(oxan-2-yloxy)non-7-enoic acid.
What is the SMILES notation for (Z)-9-(oxan-2-yloxy)non-7-enoic acid?
The canonical SMILES for (Z)-9-(oxan-2-yloxy)non-7-enoic acid is O=C(O)CCCCC/C=C\COC1CCCCO1.
What is the InChIKey of (Z)-9-(oxan-2-yloxy)non-7-enoic acid?
The InChIKey is MKGQEWYBIRMAEK-DAXSKMNVSA-N. The full InChI is InChI=1S/C14H24O4/c15-13(16)9-5-3-1-2-4-7-11-17-14-10-6-8-12-18-14/h4,7,14H,1-3,5-6,8-12H2,(H,15,16)/b7-4-.
What are the key properties of (Z)-9-(oxan-2-yloxy)non-7-enoic acid?
(Z)-9-(oxan-2-yloxy)non-7-enoic acid has a molecular weight of 256.34 g/mol, XLogP of 3.12, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-9-(oxan-2-yloxy)non-7-enoic acid is sourced from PubChem (CID 71310420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).