[3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]methanol

C10H18O3 — CID 10965234

IUPAC[3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]methanol
SMILESCC1(C)OC1CCC1(C)OC1CO
InChIInChI=1S/C10H18O3/c1-9(2)7(12-9)4-5-10(3)8(6-11)13-10/h7-8,11H,4-6H2,1-3H3
InChIKeyAPQNQVZOITYEGF-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.09
Rot. Bonds4

About [3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]methanol

[3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]methanol (PubChem CID 10965234) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is [3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]methanol.

Molecular Properties

Compound Name[3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]methanol
PubChem CID10965234
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name[3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]methanol
SMILESCC1(C)OC1CCC1(C)OC1CO
InChIInChI=1S/C10H18O3/c1-9(2)7(12-9)4-5-10(3)8(6-11)13-10/h7-8,11H,4-6H2,1-3H3
InChIKeyAPQNQVZOITYEGF-UHFFFAOYSA-N
XLogP1.09
TPSA45.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]methanol?
The IUPAC name of [3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]methanol (CID 10965234) is [3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]methanol.
What is the SMILES notation for [3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]methanol?
The canonical SMILES for [3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]methanol is CC1(C)OC1CCC1(C)OC1CO.
What is the InChIKey of [3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]methanol?
The InChIKey is APQNQVZOITYEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-9(2)7(12-9)4-5-10(3)8(6-11)13-10/h7-8,11H,4-6H2,1-3H3.
What are the key properties of [3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]methanol?
[3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]methanol has a molecular weight of 186.25 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]methanol is sourced from PubChem (CID 10965234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).