2-(hydroxymethoxy)-1-(oxan-2-yl)propan-1-ol

C9H18O4 — CID 139940126

IUPAC2-(hydroxymethoxy)-1-(oxan-2-yl)propan-1-ol
SMILESCC(OCO)C(O)C1CCCCO1
InChIInChI=1S/C9H18O4/c1-7(13-6-10)9(11)8-4-2-3-5-12-8/h7-11H,2-6H2,1H3
InChIKeyURUIBUMPJYKXMD-UHFFFAOYSA-N
MW190.24 g/mol
LogP0.27
Rot. Bonds4

About 2-(hydroxymethoxy)-1-(oxan-2-yl)propan-1-ol

2-(hydroxymethoxy)-1-(oxan-2-yl)propan-1-ol (PubChem CID 139940126) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2-(hydroxymethoxy)-1-(oxan-2-yl)propan-1-ol.

Molecular Properties

Compound Name2-(hydroxymethoxy)-1-(oxan-2-yl)propan-1-ol
PubChem CID139940126
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name2-(hydroxymethoxy)-1-(oxan-2-yl)propan-1-ol
SMILESCC(OCO)C(O)C1CCCCO1
InChIInChI=1S/C9H18O4/c1-7(13-6-10)9(11)8-4-2-3-5-12-8/h7-11H,2-6H2,1H3
InChIKeyURUIBUMPJYKXMD-UHFFFAOYSA-N
XLogP0.27
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(2R)-oxan-2-yl]propan-1-ol
CID 102227489
(2R)-2-[(2R)-oxan-2-yl]propan-1-ol
CID 124662505
1-(oxolan-2-yl)propane-1,2-diol
CID 142778097
bis(oxan-2-yl)methanol
CID 173021788
3-hydroxy-2-methyl-3-(oxan-2-yl)propanoic acid
CID 67731056
1,3-bis(oxan-2-yl)butan-1-ol
CID 173130770
1-(oxan-2-yl)propane-1,3-diol
CID 57060644
1-(oxolan-2-yl)-2-propan-2-yloxyethanol
CID 79567883
2-(dimethoxymethyl)oxane
CID 101048405
1-[[(2R)-oxan-2-yl]methoxy]ethanol
CID 68624351
2-hydroxy-N-[1-(oxan-2-yl)ethyl]acetamide
CID 130749825
O-methyl 2-(oxan-2-yl)butanethioate
CID 141336671

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethoxy)-1-(oxan-2-yl)propan-1-ol?
The IUPAC name of 2-(hydroxymethoxy)-1-(oxan-2-yl)propan-1-ol (CID 139940126) is 2-(hydroxymethoxy)-1-(oxan-2-yl)propan-1-ol.
What is the SMILES notation for 2-(hydroxymethoxy)-1-(oxan-2-yl)propan-1-ol?
The canonical SMILES for 2-(hydroxymethoxy)-1-(oxan-2-yl)propan-1-ol is CC(OCO)C(O)C1CCCCO1.
What is the InChIKey of 2-(hydroxymethoxy)-1-(oxan-2-yl)propan-1-ol?
The InChIKey is URUIBUMPJYKXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4/c1-7(13-6-10)9(11)8-4-2-3-5-12-8/h7-11H,2-6H2,1H3.
What are the key properties of 2-(hydroxymethoxy)-1-(oxan-2-yl)propan-1-ol?
2-(hydroxymethoxy)-1-(oxan-2-yl)propan-1-ol has a molecular weight of 190.24 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethoxy)-1-(oxan-2-yl)propan-1-ol is sourced from PubChem (CID 139940126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).