(2S,5R)-5-pentyloxolan-2-ol

C9H18O2 — CID 14644532

IUPAC(2S,5R)-5-pentyloxolan-2-ol
SMILESCCCCC[C@@H]1CC[C@@H](O)O1
InChIInChI=1S/C9H18O2/c1-2-3-4-5-8-6-7-9(10)11-8/h8-10H,2-7H2,1H3/t8-,9+/m1/s1
InChIKeyFAPYUVKMJWJMEH-BDAKNGLRSA-N
MW158.24 g/mol
LogP2.06
Rot. Bonds4

About (2S,5R)-5-pentyloxolan-2-ol

(2S,5R)-5-pentyloxolan-2-ol (PubChem CID 14644532) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is (2S,5R)-5-pentyloxolan-2-ol.

Molecular Properties

Compound Name(2S,5R)-5-pentyloxolan-2-ol
PubChem CID14644532
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name(2S,5R)-5-pentyloxolan-2-ol
SMILESCCCCC[C@@H]1CC[C@@H](O)O1
InChIInChI=1S/C9H18O2/c1-2-3-4-5-8-6-7-9(10)11-8/h8-10H,2-7H2,1H3/t8-,9+/m1/s1
InChIKeyFAPYUVKMJWJMEH-BDAKNGLRSA-N
XLogP2.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.06
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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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-pentyloxolan-2-ol?
The IUPAC name of (2S,5R)-5-pentyloxolan-2-ol (CID 14644532) is (2S,5R)-5-pentyloxolan-2-ol.
What is the SMILES notation for (2S,5R)-5-pentyloxolan-2-ol?
The canonical SMILES for (2S,5R)-5-pentyloxolan-2-ol is CCCCC[C@@H]1CC[C@@H](O)O1.
What is the InChIKey of (2S,5R)-5-pentyloxolan-2-ol?
The InChIKey is FAPYUVKMJWJMEH-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H18O2/c1-2-3-4-5-8-6-7-9(10)11-8/h8-10H,2-7H2,1H3/t8-,9+/m1/s1.
What are the key properties of (2S,5R)-5-pentyloxolan-2-ol?
(2S,5R)-5-pentyloxolan-2-ol has a molecular weight of 158.24 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-pentyloxolan-2-ol is sourced from PubChem (CID 14644532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).