3-(oxan-2-ylmethoxy)propan-1-ol

C9H18O3 — CID 63054995

IUPAC3-(oxan-2-ylmethoxy)propan-1-ol
SMILESOCCCOCC1CCCCO1
InChIInChI=1S/C9H18O3/c10-5-3-6-11-8-9-4-1-2-7-12-9/h9-10H,1-8H2
InChIKeySDNZPVYKQKDJNA-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.95
Rot. Bonds5

About 3-(oxan-2-ylmethoxy)propan-1-ol

3-(oxan-2-ylmethoxy)propan-1-ol (PubChem CID 63054995) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 3-(oxan-2-ylmethoxy)propan-1-ol.

Molecular Properties

Compound Name3-(oxan-2-ylmethoxy)propan-1-ol
PubChem CID63054995
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name3-(oxan-2-ylmethoxy)propan-1-ol
SMILESOCCCOCC1CCCCO1
InChIInChI=1S/C9H18O3/c10-5-3-6-11-8-9-4-1-2-7-12-9/h9-10H,1-8H2
InChIKeySDNZPVYKQKDJNA-UHFFFAOYSA-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

2-[[(2R)-oxan-2-yl]methoxy]ethanol
CID 91298433
2-[5-(oxepan-2-ylmethoxy)pentoxymethyl]oxepane
CID 58879072
N-(cyclopentylmethyl)-2-(oxan-2-ylmethoxy)ethanamine
CID 62567695
3-(oxan-2-ylmethoxy)propanamide
CID 22444989
N-(cyclopentylmethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 62070862
10-(oxiran-2-ylmethoxy)decan-1-ol
CID 141116749
6-(oxolan-2-ylmethoxy)hexan-3-one
CID 106801896
oxan-2-ylmethyl 3-(oxolan-2-ylmethoxy)propanoate
CID 78885532
2-[2-(oxan-2-ylmethoxy)ethyl]cyclopentan-1-ol
CID 79564499
N-ethyl-5-(oxan-2-ylmethoxy)pentan-1-amine
CID 62446418
2-[[(2R)-oxolan-2-yl]methoxy]ethylazanium
CID 7219875
2-hydroxyethyl N-[3-(oxolan-2-ylmethoxy)propyl]carbamate
CID 79345576

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-2-ylmethoxy)propan-1-ol?
The IUPAC name of 3-(oxan-2-ylmethoxy)propan-1-ol (CID 63054995) is 3-(oxan-2-ylmethoxy)propan-1-ol.
What is the SMILES notation for 3-(oxan-2-ylmethoxy)propan-1-ol?
The canonical SMILES for 3-(oxan-2-ylmethoxy)propan-1-ol is OCCCOCC1CCCCO1.
What is the InChIKey of 3-(oxan-2-ylmethoxy)propan-1-ol?
The InChIKey is SDNZPVYKQKDJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c10-5-3-6-11-8-9-4-1-2-7-12-9/h9-10H,1-8H2.
What are the key properties of 3-(oxan-2-ylmethoxy)propan-1-ol?
3-(oxan-2-ylmethoxy)propan-1-ol 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 3-(oxan-2-ylmethoxy)propan-1-ol is sourced from PubChem (CID 63054995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).