7-(oxolan-2-yl)heptanoic acid

C11H20O3 — CID 174977398

IUPAC7-(oxolan-2-yl)heptanoic acid
SMILESO=C(O)CCCCCCC1CCCO1
InChIInChI=1S/C11H20O3/c12-11(13)8-4-2-1-3-6-10-7-5-9-14-10/h10H,1-9H2,(H,12,13)
InChIKeyIFGRQTGSXDCFRF-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.59
Rot. Bonds7

About 7-(oxolan-2-yl)heptanoic acid

7-(oxolan-2-yl)heptanoic acid (PubChem CID 174977398) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 7-(oxolan-2-yl)heptanoic acid.

Molecular Properties

Compound Name7-(oxolan-2-yl)heptanoic acid
PubChem CID174977398
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name7-(oxolan-2-yl)heptanoic acid
SMILESO=C(O)CCCCCCC1CCCO1
InChIInChI=1S/C11H20O3/c12-11(13)8-4-2-1-3-6-10-7-5-9-14-10/h10H,1-9H2,(H,12,13)
InChIKeyIFGRQTGSXDCFRF-UHFFFAOYSA-N
XLogP2.59
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[(2R)-oxolan-2-yl]pentanoic acid
CID 67391734
5-(oxolan-2-yl)pentanamide
CID 67128385
3-[(2R)-oxan-2-yl]propanoic acid;hydrochloride
CID 162327782
6-[methyl(oxolan-2-ylmethyl)amino]-6-oxohexanoic acid
CID 61432529
4-[3-(oxolan-2-yl)propyl-propan-2-ylamino]butanoic acid
CID 65162413
1-(oxolan-2-yl)undecan-4-one
CID 114976697
6-oxo-6-(oxolan-2-ylmethylamino)hexanoic acid
CID 43529693
5-[(2S)-oxiran-2-yl]pentanoic acid
CID 124512995
ethyl 5-(oxolan-2-yl)pentanoate
CID 121220970
5-[methyl-[2-[(2S)-oxan-2-yl]ethyl]amino]-5-oxopentanoic acid
CID 126440241
3-[3-(oxan-2-yl)propylcarbamoylamino]propanoic acid
CID 122009972
4-[3-(oxan-2-yl)propanoylamino]butanoic acid
CID 63953918

Frequently Asked Questions

What is the IUPAC name of 7-(oxolan-2-yl)heptanoic acid?
The IUPAC name of 7-(oxolan-2-yl)heptanoic acid (CID 174977398) is 7-(oxolan-2-yl)heptanoic acid.
What is the SMILES notation for 7-(oxolan-2-yl)heptanoic acid?
The canonical SMILES for 7-(oxolan-2-yl)heptanoic acid is O=C(O)CCCCCCC1CCCO1.
What is the InChIKey of 7-(oxolan-2-yl)heptanoic acid?
The InChIKey is IFGRQTGSXDCFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c12-11(13)8-4-2-1-3-6-10-7-5-9-14-10/h10H,1-9H2,(H,12,13).
What are the key properties of 7-(oxolan-2-yl)heptanoic acid?
7-(oxolan-2-yl)heptanoic acid has a molecular weight of 200.28 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(oxolan-2-yl)heptanoic acid is sourced from PubChem (CID 174977398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).