4,5-dimethoxy-1,3-dioxole

C5H8O4 — CID 141112983

IUPAC4,5-dimethoxy-1,3-dioxole
SMILESCOC1=C(OC)OCO1
InChIInChI=1S/C5H8O4/c1-6-4-5(7-2)9-3-8-4/h3H2,1-2H3
InChIKeyYTPAMVJBEOWLRK-UHFFFAOYSA-N
MW132.12 g/mol
LogP0.41
Rot. Bonds2

About 4,5-dimethoxy-1,3-dioxole

4,5-dimethoxy-1,3-dioxole (PubChem CID 141112983) has the molecular formula C5H8O4 and a molecular weight of 132.12 g/mol. Its IUPAC name is 4,5-dimethoxy-1,3-dioxole.

Molecular Properties

Compound Name4,5-dimethoxy-1,3-dioxole
PubChem CID141112983
Molecular FormulaC5H8O4
Molecular Weight132.12 g/mol
Exact Mass132.04
IUPAC Name4,5-dimethoxy-1,3-dioxole
SMILESCOC1=C(OC)OCO1
InChIInChI=1S/C5H8O4/c1-6-4-5(7-2)9-3-8-4/h3H2,1-2H3
InChIKeyYTPAMVJBEOWLRK-UHFFFAOYSA-N
XLogP0.41
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.12
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,7-dimethoxy-1,3-benzodioxole-5,6-diamine;dihydrochloride
CID 163333120
4,9-dimethoxybenzo[f][1,3]benzodioxole
CID 12558262
5,7-dibromo-4-methoxy-1,3-benzodioxole
CID 23272203
4,5-dimethoxy-6-methyl-1,3-benzodioxole
CID 59720306
5-methoxy-6-methylsulfanyl-1,3-benzodioxole
CID 123594562
(1S)-1-(7-methoxy-1,3-benzodioxol-5-yl)but-3-en-1-amine
CID 171236136
5-ethenyl-6-methoxy-1,3-benzodioxole
CID 102182518
(20S,28R,70R,78S)-35,41,57,63-tetramethoxy-20,24,28,70,74,78,81,86-octamethyl-3,5,8,10,13,15,31,33,37,39,43,45,48,50,53,55,59,61,65,67-icosaoxanonadecacyclo[67.11.3.317,29.02,51.06,82.07,68.011,30.016,47.019,46.021,42.023,40.025,36.027,34.052,79.056,77.058,75.062,73.064,71.012,85]hexaoctaconta-1(80),2(51),6,11,16(47),17,19(46),21,23(40),25(36),26,29,34,41,52(79),56,58(75),62(73),63,68,71,76,82,84-tetracosaene
CID 100977299
(1R,2S)-1-(7-methoxy-1,3-benzodioxol-5-yl)propane-1,2-diol
CID 71408272
3-[(2-methoxyphenyl)methyl]oxolan-2-one
CID 12025278
16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2(10),4(8),15(20),16-pentaene
CID 24870847
4-methoxy-7-propyl-1,3-benzodioxole
CID 14601156

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-1,3-dioxole?
The IUPAC name of 4,5-dimethoxy-1,3-dioxole (CID 141112983) is 4,5-dimethoxy-1,3-dioxole.
What is the SMILES notation for 4,5-dimethoxy-1,3-dioxole?
The canonical SMILES for 4,5-dimethoxy-1,3-dioxole is COC1=C(OC)OCO1.
What is the InChIKey of 4,5-dimethoxy-1,3-dioxole?
The InChIKey is YTPAMVJBEOWLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O4/c1-6-4-5(7-2)9-3-8-4/h3H2,1-2H3.
What are the key properties of 4,5-dimethoxy-1,3-dioxole?
4,5-dimethoxy-1,3-dioxole has a molecular weight of 132.12 g/mol, XLogP of 0.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-1,3-dioxole is sourced from PubChem (CID 141112983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).