2-[3-[hydroxy-(2-methyloxiran-2-yl)methyl]-2-methyloxiran-2-yl]ethanol

C9H16O4 — CID 57052916

IUPAC2-[3-[hydroxy-(2-methyloxiran-2-yl)methyl]-2-methyloxiran-2-yl]ethanol
SMILESCC1(C(O)C2OC2(C)CCO)CO1
InChIInChI=1S/C9H16O4/c1-8(3-4-10)7(13-8)6(11)9(2)5-12-9/h6-7,10-11H,3-5H2,1-2H3
InChIKeyPHZUIMLBASWNSZ-UHFFFAOYSA-N
MW188.22 g/mol
LogP-0.32
Rot. Bonds4

About 2-[3-[hydroxy-(2-methyloxiran-2-yl)methyl]-2-methyloxiran-2-yl]ethanol

2-[3-[hydroxy-(2-methyloxiran-2-yl)methyl]-2-methyloxiran-2-yl]ethanol (PubChem CID 57052916) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is 2-[3-[hydroxy-(2-methyloxiran-2-yl)methyl]-2-methyloxiran-2-yl]ethanol.

Molecular Properties

Compound Name2-[3-[hydroxy-(2-methyloxiran-2-yl)methyl]-2-methyloxiran-2-yl]ethanol
PubChem CID57052916
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name2-[3-[hydroxy-(2-methyloxiran-2-yl)methyl]-2-methyloxiran-2-yl]ethanol
SMILESCC1(C(O)C2OC2(C)CCO)CO1
InChIInChI=1S/C9H16O4/c1-8(3-4-10)7(13-8)6(11)9(2)5-12-9/h6-7,10-11H,3-5H2,1-2H3
InChIKeyPHZUIMLBASWNSZ-UHFFFAOYSA-N
XLogP-0.32
TPSA65.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-[(2R)-2-methyloxiran-2-yl]propan-1-ol
CID 10909544
(1S,2R)-1-[(2S)-2-methyloxiran-2-yl]propane-1,2-diol
CID 130866295
2,3-dimethyl-2-[3-(2-methyloxiran-2-yl)butyl]oxirane
CID 88985955
(1R)-1-[(4S,5S)-5-(2-hydroxyethyl)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 166765239
(1S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pent-3-en-1-ol
CID 131067453
(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propane-1,3-diol
CID 67908646
1-[2-(2-hydroxyethyl)-2-methyl-1-oxidoazetidin-3-yl]ethanol
CID 88773805
1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 68974036
(1R)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pentane-1,4-diol
CID 134895800
1,3-bis(2-methyloxiran-2-yl)propan-2-ol
CID 88762756
9-[(1R,2S,5R)-5-(2-hydroxyethyl)-2-methyl-3,8-dioxabicyclo[3.2.1]octan-2-yl]-2,6-dimethylnon-2-en-5-ol
CID 13247573
9-[(5R)-5-(2-hydroxyethyl)-2-methyl-3,8-dioxabicyclo[3.2.1]octan-2-yl]-2,6-dimethylnon-2-en-5-ol
CID 70602908

Frequently Asked Questions

What is the IUPAC name of 2-[3-[hydroxy-(2-methyloxiran-2-yl)methyl]-2-methyloxiran-2-yl]ethanol?
The IUPAC name of 2-[3-[hydroxy-(2-methyloxiran-2-yl)methyl]-2-methyloxiran-2-yl]ethanol (CID 57052916) is 2-[3-[hydroxy-(2-methyloxiran-2-yl)methyl]-2-methyloxiran-2-yl]ethanol.
What is the SMILES notation for 2-[3-[hydroxy-(2-methyloxiran-2-yl)methyl]-2-methyloxiran-2-yl]ethanol?
The canonical SMILES for 2-[3-[hydroxy-(2-methyloxiran-2-yl)methyl]-2-methyloxiran-2-yl]ethanol is CC1(C(O)C2OC2(C)CCO)CO1.
What is the InChIKey of 2-[3-[hydroxy-(2-methyloxiran-2-yl)methyl]-2-methyloxiran-2-yl]ethanol?
The InChIKey is PHZUIMLBASWNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-8(3-4-10)7(13-8)6(11)9(2)5-12-9/h6-7,10-11H,3-5H2,1-2H3.
What are the key properties of 2-[3-[hydroxy-(2-methyloxiran-2-yl)methyl]-2-methyloxiran-2-yl]ethanol?
2-[3-[hydroxy-(2-methyloxiran-2-yl)methyl]-2-methyloxiran-2-yl]ethanol has a molecular weight of 188.22 g/mol, XLogP of -0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[hydroxy-(2-methyloxiran-2-yl)methyl]-2-methyloxiran-2-yl]ethanol is sourced from PubChem (CID 57052916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).