6-(oxiran-2-ylmethoxy)-2,4-dioxabicyclo[3.3.1]nona-1(9),5,7-triene

C10H10O4 — CID 155797361

IUPAC6-(oxiran-2-ylmethoxy)-2,4-dioxabicyclo[3.3.1]nona-1(9),5,7-triene
SMILESc1cc(OCC2CO2)c2cc1OCO2
InChIInChI=1S/C10H10O4/c1-2-9(12-5-8-4-11-8)10-3-7(1)13-6-14-10/h1-3,8H,4-6H2
InChIKeyHKBDTQLLLMPXMG-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.19
Rot. Bonds3

About 6-(oxiran-2-ylmethoxy)-2,4-dioxabicyclo[3.3.1]nona-1(9),5,7-triene

6-(oxiran-2-ylmethoxy)-2,4-dioxabicyclo[3.3.1]nona-1(9),5,7-triene (PubChem CID 155797361) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is 6-(oxiran-2-ylmethoxy)-2,4-dioxabicyclo[3.3.1]nona-1(9),5,7-triene.

Molecular Properties

Compound Name6-(oxiran-2-ylmethoxy)-2,4-dioxabicyclo[3.3.1]nona-1(9),5,7-triene
PubChem CID155797361
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name6-(oxiran-2-ylmethoxy)-2,4-dioxabicyclo[3.3.1]nona-1(9),5,7-triene
SMILESc1cc(OCC2CO2)c2cc1OCO2
InChIInChI=1S/C10H10O4/c1-2-9(12-5-8-4-11-8)10-3-7(1)13-6-14-10/h1-3,8H,4-6H2
InChIKeyHKBDTQLLLMPXMG-UHFFFAOYSA-N
XLogP1.19
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,6S)-2-(3-chlorophenyl)-6-(2,4-dioxabicyclo[3.3.1]nona-1(9),5,7-trien-6-yloxymethyl)-3-methylmorpholine
CID 176903438
[5-[[(2R)-oxiran-2-yl]methoxy]-1,3-benzodioxol-4-yl] formate
CID 54000340
3-ethyl-4-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline
CID 162364645
3,4-bis(oxiran-2-ylmethoxy)benzaldehyde
CID 175734853
(2S)-2-[(4-bromo-2-fluorophenoxy)methyl]oxirane
CID 87657990
(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
ethane;2-[[2-[[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane
CID 158003640
CID 23069443
CID 23069443
2-[(4,5-dichloro-2-methoxyphenoxy)methyl]oxirane
CID 58044663
3-chloro-4-[[(2R)-oxiran-2-yl]methoxy]benzonitrile
CID 130564095
2-[[2,6-dimethyl-4-[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane
CID 142851433
3-bromo-4-(oxiran-2-ylmethoxy)benzonitrile
CID 174906920

Frequently Asked Questions

What is the IUPAC name of 6-(oxiran-2-ylmethoxy)-2,4-dioxabicyclo[3.3.1]nona-1(9),5,7-triene?
The IUPAC name of 6-(oxiran-2-ylmethoxy)-2,4-dioxabicyclo[3.3.1]nona-1(9),5,7-triene (CID 155797361) is 6-(oxiran-2-ylmethoxy)-2,4-dioxabicyclo[3.3.1]nona-1(9),5,7-triene.
What is the SMILES notation for 6-(oxiran-2-ylmethoxy)-2,4-dioxabicyclo[3.3.1]nona-1(9),5,7-triene?
The canonical SMILES for 6-(oxiran-2-ylmethoxy)-2,4-dioxabicyclo[3.3.1]nona-1(9),5,7-triene is c1cc(OCC2CO2)c2cc1OCO2.
What is the InChIKey of 6-(oxiran-2-ylmethoxy)-2,4-dioxabicyclo[3.3.1]nona-1(9),5,7-triene?
The InChIKey is HKBDTQLLLMPXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4/c1-2-9(12-5-8-4-11-8)10-3-7(1)13-6-14-10/h1-3,8H,4-6H2.
What are the key properties of 6-(oxiran-2-ylmethoxy)-2,4-dioxabicyclo[3.3.1]nona-1(9),5,7-triene?
6-(oxiran-2-ylmethoxy)-2,4-dioxabicyclo[3.3.1]nona-1(9),5,7-triene has a molecular weight of 194.19 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxiran-2-ylmethoxy)-2,4-dioxabicyclo[3.3.1]nona-1(9),5,7-triene is sourced from PubChem (CID 155797361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).