1,3-bis(methoxymethoxy)-5-methyl-2-prop-2-enylbenzene

C14H20O4 — CID 86078751

IUPAC1,3-bis(methoxymethoxy)-5-methyl-2-prop-2-enylbenzene
SMILESC=CCc1c(OCOC)cc(C)cc1OCOC
InChIInChI=1S/C14H20O4/c1-5-6-12-13(17-9-15-3)7-11(2)8-14(12)18-10-16-4/h5,7-8H,1,6,9-10H2,2-4H3
InChIKeyZMUUTLQSHHOIAM-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.69
Rot. Bonds8

About 1,3-bis(methoxymethoxy)-5-methyl-2-prop-2-enylbenzene

1,3-bis(methoxymethoxy)-5-methyl-2-prop-2-enylbenzene (PubChem CID 86078751) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1,3-bis(methoxymethoxy)-5-methyl-2-prop-2-enylbenzene.

Molecular Properties

Compound Name1,3-bis(methoxymethoxy)-5-methyl-2-prop-2-enylbenzene
PubChem CID86078751
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name1,3-bis(methoxymethoxy)-5-methyl-2-prop-2-enylbenzene
SMILESC=CCc1c(OCOC)cc(C)cc1OCOC
InChIInChI=1S/C14H20O4/c1-5-6-12-13(17-9-15-3)7-11(2)8-14(12)18-10-16-4/h5,7-8H,1,6,9-10H2,2-4H3
InChIKeyZMUUTLQSHHOIAM-UHFFFAOYSA-N
XLogP2.69
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethoxy-5-methyl-2-prop-2-enylbenzene
CID 86017681
methyl 3,5-bis(methoxymethoxy)-4-prop-2-enylbenzoate
CID 59560396
1-bromo-2-(methoxymethoxy)-5-methyl-3-prop-2-enylbenzene
CID 153312052
2-iodo-1-methoxy-3-(methoxymethoxy)-5-methylbenzene
CID 164886491
1-[3-(methoxymethoxy)-2-prop-2-enylphenyl]ethanone
CID 20590669
1,2-dimethoxy-5-methyl-3-prop-2-enylbenzene
CID 101116168
3-chloro-5-hydroxy-7-(methoxymethoxy)-6-prop-2-enylchromen-4-one
CID 24774549
2-fluoro-6-(methoxymethoxy)-4-methylbenzaldehyde
CID 164891594
1-ethoxy-2-methoxy-5-methyl-3-prop-2-enylbenzene
CID 21129917
1-(methoxymethoxy)-2-prop-2-enoxybenzene
CID 121218141
1,3-dimethoxy-2-prop-2-enylbenzene
CID 3014232
4-ethenyl-1,2-bis(methoxymethoxy)benzene
CID 57430947

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(methoxymethoxy)-5-methyl-2-prop-2-enylbenzene?
The IUPAC name of 1,3-bis(methoxymethoxy)-5-methyl-2-prop-2-enylbenzene (CID 86078751) is 1,3-bis(methoxymethoxy)-5-methyl-2-prop-2-enylbenzene.
What is the SMILES notation for 1,3-bis(methoxymethoxy)-5-methyl-2-prop-2-enylbenzene?
The canonical SMILES for 1,3-bis(methoxymethoxy)-5-methyl-2-prop-2-enylbenzene is C=CCc1c(OCOC)cc(C)cc1OCOC.
What is the InChIKey of 1,3-bis(methoxymethoxy)-5-methyl-2-prop-2-enylbenzene?
The InChIKey is ZMUUTLQSHHOIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-5-6-12-13(17-9-15-3)7-11(2)8-14(12)18-10-16-4/h5,7-8H,1,6,9-10H2,2-4H3.
What are the key properties of 1,3-bis(methoxymethoxy)-5-methyl-2-prop-2-enylbenzene?
1,3-bis(methoxymethoxy)-5-methyl-2-prop-2-enylbenzene has a molecular weight of 252.31 g/mol, XLogP of 2.69, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(methoxymethoxy)-5-methyl-2-prop-2-enylbenzene is sourced from PubChem (CID 86078751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).