[(2R,5R)-5-(propoxymethyl)oxolan-2-yl]methanol

C9H18O3 — CID 122607745

IUPAC[(2R,5R)-5-(propoxymethyl)oxolan-2-yl]methanol
SMILESCCCOC[C@H]1CC[C@H](CO)O1
InChIInChI=1S/C9H18O3/c1-2-5-11-7-9-4-3-8(6-10)12-9/h8-10H,2-7H2,1H3/t8-,9-/m1/s1
InChIKeyLELRZZXVESZEFJ-RKDXNWHRSA-N
MW174.24 g/mol
LogP0.95
Rot. Bonds5

About [(2R,5R)-5-(propoxymethyl)oxolan-2-yl]methanol

[(2R,5R)-5-(propoxymethyl)oxolan-2-yl]methanol (PubChem CID 122607745) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is [(2R,5R)-5-(propoxymethyl)oxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,5R)-5-(propoxymethyl)oxolan-2-yl]methanol
PubChem CID122607745
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name[(2R,5R)-5-(propoxymethyl)oxolan-2-yl]methanol
SMILESCCCOC[C@H]1CC[C@H](CO)O1
InChIInChI=1S/C9H18O3/c1-2-5-11-7-9-4-3-8(6-10)12-9/h8-10H,2-7H2,1H3/t8-,9-/m1/s1
InChIKeyLELRZZXVESZEFJ-RKDXNWHRSA-N
XLogP0.95
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[5-(propoxymethyl)oxolan-2-yl]methanamine
CID 62451334
[5-(3-methylbutoxymethyl)oxolan-2-yl]methanol
CID 67357677
[(2R,4R)-4-(hexadecoxymethyl)oxetan-2-yl]methanol
CID 139910442
N-[[5-(2-propoxyethoxymethyl)oxolan-2-yl]methyl]ethanamine
CID 55232861
[(2S,5R)-5-(hydroxymethyl)oxolan-2-yl]methanol
CID 12886254
5-(2-propoxyethoxymethyl)oxolane-2-carboxylic acid
CID 63687060
[(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]methyl butanoate
CID 118169205
2-(propoxymethyl)oxirane
CID 18406
2-ethyl-5-[(5-ethyloxolan-2-yl)methoxymethyl]oxolane
CID 164901003
ethane-1,2-diamine;[5-(hydroxymethyl)oxolan-2-yl]methanol
CID 174792194
[(2S,5S)-5-(octadecoxymethyl)oxolan-2-yl]methylazanium
CID 140746023
N-[[5-(butoxymethyl)oxolan-2-yl]methyl]propan-1-amine
CID 62450434

Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-5-(propoxymethyl)oxolan-2-yl]methanol?
The IUPAC name of [(2R,5R)-5-(propoxymethyl)oxolan-2-yl]methanol (CID 122607745) is [(2R,5R)-5-(propoxymethyl)oxolan-2-yl]methanol.
What is the SMILES notation for [(2R,5R)-5-(propoxymethyl)oxolan-2-yl]methanol?
The canonical SMILES for [(2R,5R)-5-(propoxymethyl)oxolan-2-yl]methanol is CCCOC[C@H]1CC[C@H](CO)O1.
What is the InChIKey of [(2R,5R)-5-(propoxymethyl)oxolan-2-yl]methanol?
The InChIKey is LELRZZXVESZEFJ-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H18O3/c1-2-5-11-7-9-4-3-8(6-10)12-9/h8-10H,2-7H2,1H3/t8-,9-/m1/s1.
What are the key properties of [(2R,5R)-5-(propoxymethyl)oxolan-2-yl]methanol?
[(2R,5R)-5-(propoxymethyl)oxolan-2-yl]methanol has a molecular weight of 174.24 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-5-(propoxymethyl)oxolan-2-yl]methanol is sourced from PubChem (CID 122607745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).