5-(2H-pyran-3-yl)pentanoic acid

C10H14O3 — CID 142974420

IUPAC5-(2H-pyran-3-yl)pentanoic acid
SMILESO=C(O)CCCCC1=CC=COC1
InChIInChI=1S/C10H14O3/c11-10(12)6-2-1-4-9-5-3-7-13-8-9/h3,5,7H,1-2,4,6,8H2,(H,11,12)
InChIKeyPRYJXTRQZVLBQV-UHFFFAOYSA-N
MW182.22 g/mol
LogP2.10
Rot. Bonds5

About 5-(2H-pyran-3-yl)pentanoic acid

5-(2H-pyran-3-yl)pentanoic acid (PubChem CID 142974420) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 5-(2H-pyran-3-yl)pentanoic acid.

Molecular Properties

Compound Name5-(2H-pyran-3-yl)pentanoic acid
PubChem CID142974420
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name5-(2H-pyran-3-yl)pentanoic acid
SMILESO=C(O)CCCCC1=CC=COC1
InChIInChI=1S/C10H14O3/c11-10(12)6-2-1-4-9-5-3-7-13-8-9/h3,5,7H,1-2,4,6,8H2,(H,11,12)
InChIKeyPRYJXTRQZVLBQV-UHFFFAOYSA-N
XLogP2.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 52.10
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

2-(2H-pyran-3-yl)acetic acid
CID 22114124
7-(cyclopenten-1-yl)heptanoic acid
CID 23035884
7-(3-oxocyclopenten-1-yl)heptanoic acid
CID 22444568
2-(2H-pyran-3-ylamino)acetic acid
CID 150531287
9-(oxiren-2-yl)nonanoic acid
CID 141359702
2-oxo-2-(2H-pyran-3-yl)acetic acid
CID 69128844
8-[5-(4-carboxybutyl)thiophen-2-yl]octanoic acid
CID 4270643
3-amino-3-(2H-pyran-3-yl)propanoic acid;hydrochloride
CID 159997836
nonanoic acid;2H-pyran
CID 175179867
1,2-dioxine;pentanedioic acid
CID 175547482
2H-pyran-3-ylcarbamic acid
CID 67378136
tridecanedioic acid;undecanedioic acid
CID 158333715

Frequently Asked Questions

What is the IUPAC name of 5-(2H-pyran-3-yl)pentanoic acid?
The IUPAC name of 5-(2H-pyran-3-yl)pentanoic acid (CID 142974420) is 5-(2H-pyran-3-yl)pentanoic acid.
What is the SMILES notation for 5-(2H-pyran-3-yl)pentanoic acid?
The canonical SMILES for 5-(2H-pyran-3-yl)pentanoic acid is O=C(O)CCCCC1=CC=COC1.
What is the InChIKey of 5-(2H-pyran-3-yl)pentanoic acid?
The InChIKey is PRYJXTRQZVLBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c11-10(12)6-2-1-4-9-5-3-7-13-8-9/h3,5,7H,1-2,4,6,8H2,(H,11,12).
What are the key properties of 5-(2H-pyran-3-yl)pentanoic acid?
5-(2H-pyran-3-yl)pentanoic acid has a molecular weight of 182.22 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2H-pyran-3-yl)pentanoic acid is sourced from PubChem (CID 142974420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).