9-[(2R)-oxan-2-yl]oxynon-7-ynoic acid

C14H22O4 — CID 94037813

IUPAC9-[(2R)-oxan-2-yl]oxynon-7-ynoic acid
SMILESO=C(O)CCCCCC#CCO[C@@H]1CCCCO1
InChIInChI=1S/C14H22O4/c15-13(16)9-5-3-1-2-4-7-11-17-14-10-6-8-12-18-14/h14H,1-3,5-6,8-12H2,(H,15,16)/t14-/m0/s1
InChIKeyBNWVOWGHORIPKA-AWEZNQCLSA-N
MW254.33 g/mol
LogP2.57
Rot. Bonds7

About 9-[(2R)-oxan-2-yl]oxynon-7-ynoic acid

9-[(2R)-oxan-2-yl]oxynon-7-ynoic acid (PubChem CID 94037813) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is 9-[(2R)-oxan-2-yl]oxynon-7-ynoic acid.

Molecular Properties

Compound Name9-[(2R)-oxan-2-yl]oxynon-7-ynoic acid
PubChem CID94037813
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name9-[(2R)-oxan-2-yl]oxynon-7-ynoic acid
SMILESO=C(O)CCCCCC#CCO[C@@H]1CCCCO1
InChIInChI=1S/C14H22O4/c15-13(16)9-5-3-1-2-4-7-11-17-14-10-6-8-12-18-14/h14H,1-3,5-6,8-12H2,(H,15,16)/t14-/m0/s1
InChIKeyBNWVOWGHORIPKA-AWEZNQCLSA-N
XLogP2.57
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

14-(oxan-2-yloxy)tetradecanoic acid
CID 54500619
(2R)-2-(6-iodohex-2-ynoxy)oxane
CID 124672395
2-(6-bromohex-2-ynoxy)oxane
CID 10801356
2-octadeca-2,5,8-triynoxyoxane
CID 11099965
2-dodeca-2,7-diynoxyoxane
CID 57283725
2-[10-(oxan-2-yloxy)dec-5-ynoxy]oxane
CID 86101996
8-(oxan-2-yloxy)oct-2-yn-1-ol
CID 20521626
2-hex-2-ynoxyoxane
CID 11041365
2-(7,7,7-trimethoxyhept-2-ynoxy)oxane
CID 71335420
(Z)-9-(oxan-2-yloxy)non-7-enoic acid
CID 71310420
methyl 10-(oxan-2-yloxy)-7-oxodeca-2,8-diynoate
CID 10827478
(2S)-2-tridec-6-ynoxyoxane
CID 124565996

Frequently Asked Questions

What is the IUPAC name of 9-[(2R)-oxan-2-yl]oxynon-7-ynoic acid?
The IUPAC name of 9-[(2R)-oxan-2-yl]oxynon-7-ynoic acid (CID 94037813) is 9-[(2R)-oxan-2-yl]oxynon-7-ynoic acid.
What is the SMILES notation for 9-[(2R)-oxan-2-yl]oxynon-7-ynoic acid?
The canonical SMILES for 9-[(2R)-oxan-2-yl]oxynon-7-ynoic acid is O=C(O)CCCCCC#CCO[C@@H]1CCCCO1.
What is the InChIKey of 9-[(2R)-oxan-2-yl]oxynon-7-ynoic acid?
The InChIKey is BNWVOWGHORIPKA-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H22O4/c15-13(16)9-5-3-1-2-4-7-11-17-14-10-6-8-12-18-14/h14H,1-3,5-6,8-12H2,(H,15,16)/t14-/m0/s1.
What are the key properties of 9-[(2R)-oxan-2-yl]oxynon-7-ynoic acid?
9-[(2R)-oxan-2-yl]oxynon-7-ynoic acid has a molecular weight of 254.33 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2R)-oxan-2-yl]oxynon-7-ynoic acid is sourced from PubChem (CID 94037813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).