(2R,5R)-5-pentyloxolane-2-carboxylic acid

C10H18O3 — CID 155821486

IUPAC(2R,5R)-5-pentyloxolane-2-carboxylic acid
SMILESCCCCC[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C10H18O3/c1-2-3-4-5-8-6-7-9(13-8)10(11)12/h8-9H,2-7H2,1H3,(H,11,12)/t8-,9-/m1/s1
InChIKeyRRCYNWGXMCGPQQ-RKDXNWHRSA-N
MW186.25 g/mol
LogP2.20
Rot. Bonds5

About (2R,5R)-5-pentyloxolane-2-carboxylic acid

(2R,5R)-5-pentyloxolane-2-carboxylic acid (PubChem CID 155821486) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (2R,5R)-5-pentyloxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5R)-5-pentyloxolane-2-carboxylic acid
PubChem CID155821486
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(2R,5R)-5-pentyloxolane-2-carboxylic acid
SMILESCCCCC[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C10H18O3/c1-2-3-4-5-8-6-7-9(13-8)10(11)12/h8-9H,2-7H2,1H3,(H,11,12)/t8-,9-/m1/s1
InChIKeyRRCYNWGXMCGPQQ-RKDXNWHRSA-N
XLogP2.20
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.20
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

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-5-pentyloxolane-2-carboxylic acid?
The IUPAC name of (2R,5R)-5-pentyloxolane-2-carboxylic acid (CID 155821486) is (2R,5R)-5-pentyloxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5R)-5-pentyloxolane-2-carboxylic acid?
The canonical SMILES for (2R,5R)-5-pentyloxolane-2-carboxylic acid is CCCCC[C@@H]1CC[C@H](C(=O)O)O1.
What is the InChIKey of (2R,5R)-5-pentyloxolane-2-carboxylic acid?
The InChIKey is RRCYNWGXMCGPQQ-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H18O3/c1-2-3-4-5-8-6-7-9(13-8)10(11)12/h8-9H,2-7H2,1H3,(H,11,12)/t8-,9-/m1/s1.
What are the key properties of (2R,5R)-5-pentyloxolane-2-carboxylic acid?
(2R,5R)-5-pentyloxolane-2-carboxylic acid has a molecular weight of 186.25 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-5-pentyloxolane-2-carboxylic acid is sourced from PubChem (CID 155821486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).