3-[(2R)-3-hydroxyoxolan-2-yl]pentanal

C9H16O3 — CID 163740648

IUPAC3-[(2R)-3-hydroxyoxolan-2-yl]pentanal
SMILESCCC(CC=O)[C@H]1OCCC1O
InChIInChI=1S/C9H16O3/c1-2-7(3-5-10)9-8(11)4-6-12-9/h5,7-9,11H,2-4,6H2,1H3/t7?,8?,9-/m1/s1
InChIKeyUEQYWAQOPZZJIT-AMDVSUOASA-N
MW172.22 g/mol
LogP0.75
Rot. Bonds4

About 3-[(2R)-3-hydroxyoxolan-2-yl]pentanal

3-[(2R)-3-hydroxyoxolan-2-yl]pentanal (PubChem CID 163740648) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 3-[(2R)-3-hydroxyoxolan-2-yl]pentanal.

Molecular Properties

Compound Name3-[(2R)-3-hydroxyoxolan-2-yl]pentanal
PubChem CID163740648
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name3-[(2R)-3-hydroxyoxolan-2-yl]pentanal
SMILESCCC(CC=O)[C@H]1OCCC1O
InChIInChI=1S/C9H16O3/c1-2-7(3-5-10)9-8(11)4-6-12-9/h5,7-9,11H,2-4,6H2,1H3/t7?,8?,9-/m1/s1
InChIKeyUEQYWAQOPZZJIT-AMDVSUOASA-N
XLogP0.75
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-hydroxypropyl)oxolan-3-ol
CID 20736976
1-(3-hydroxyoxolan-2-yl)ethane-1,2-diol
CID 14057266
N-[2-(1,2-dihydroxybutyl)-4-hydroxyoxan-3-yl]acetamide
CID 90887662
3-pentan-3-yloxan-4-ol
CID 106471344
2-propan-2-yloxane-3,4-diol
CID 70217654
N-[(2-pentan-3-yloxolan-3-yl)methyl]propan-2-amine
CID 79368733
(2R,3S)-2-[(2R)-but-3-en-2-yl]oxan-3-ol
CID 46895046
4-(oxetan-2-yl)hexan-1-ol
CID 68993570
(2S,3R)-2-[(2S)-but-3-en-2-yl]oxan-3-ol
CID 11240621
3-(1,3-dioxolan-2-yl)pent-4-enal
CID 59861600
ethyl (2R)-4-oxo-2-[[(2S)-oxolan-2-yl]methyl]butanoate
CID 135077669
(3R)-2-methyloxolan-3-ol
CID 89032581

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-3-hydroxyoxolan-2-yl]pentanal?
The IUPAC name of 3-[(2R)-3-hydroxyoxolan-2-yl]pentanal (CID 163740648) is 3-[(2R)-3-hydroxyoxolan-2-yl]pentanal.
What is the SMILES notation for 3-[(2R)-3-hydroxyoxolan-2-yl]pentanal?
The canonical SMILES for 3-[(2R)-3-hydroxyoxolan-2-yl]pentanal is CCC(CC=O)[C@H]1OCCC1O.
What is the InChIKey of 3-[(2R)-3-hydroxyoxolan-2-yl]pentanal?
The InChIKey is UEQYWAQOPZZJIT-AMDVSUOASA-N. The full InChI is InChI=1S/C9H16O3/c1-2-7(3-5-10)9-8(11)4-6-12-9/h5,7-9,11H,2-4,6H2,1H3/t7?,8?,9-/m1/s1.
What are the key properties of 3-[(2R)-3-hydroxyoxolan-2-yl]pentanal?
3-[(2R)-3-hydroxyoxolan-2-yl]pentanal has a molecular weight of 172.22 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-3-hydroxyoxolan-2-yl]pentanal is sourced from PubChem (CID 163740648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).