1,3-dimethoxy-5-(trimethoxymethyl)benzene

C12H18O5 — CID 103399645

IUPAC1,3-dimethoxy-5-(trimethoxymethyl)benzene
SMILESCOc1cc(OC)cc(C(OC)(OC)OC)c1
InChIInChI=1S/C12H18O5/c1-13-10-6-9(7-11(8-10)14-2)12(15-3,16-4)17-5/h6-8H,1-5H3
InChIKeyRITCVAOPFYDYEV-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.75
Rot. Bonds6

About 1,3-dimethoxy-5-(trimethoxymethyl)benzene

1,3-dimethoxy-5-(trimethoxymethyl)benzene (PubChem CID 103399645) has the molecular formula C12H18O5 and a molecular weight of 242.27 g/mol. Its IUPAC name is 1,3-dimethoxy-5-(trimethoxymethyl)benzene.

Molecular Properties

Compound Name1,3-dimethoxy-5-(trimethoxymethyl)benzene
PubChem CID103399645
Molecular FormulaC12H18O5
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name1,3-dimethoxy-5-(trimethoxymethyl)benzene
SMILESCOc1cc(OC)cc(C(OC)(OC)OC)c1
InChIInChI=1S/C12H18O5/c1-13-10-6-9(7-11(8-10)14-2)12(15-3,16-4)17-5/h6-8H,1-5H3
InChIKeyRITCVAOPFYDYEV-UHFFFAOYSA-N
XLogP1.75
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

phosphane;1,3,5-trimethoxybenzene
CID 175232895
1-(2-fluoropropan-2-yl)-3,5-dimethoxybenzene
CID 90993757
1,3-dimethoxy-5-(2,4,4-trimethylpentan-2-yl)benzene
CID 144886169
1-methoxy-3-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)benzene
CID 166607829
3-tert-butyl-5-methoxypyridine
CID 21031507
1,3-dimethoxy-5-methylbenzene;methane
CID 142906999
(3,5-dimethoxyphenyl)phosphane
CID 23215298
1,1-bis(3,5-dimethoxyphenyl)-3-methylbutane-1,2-diamine
CID 22501160
1-[4-(3,5-dimethoxyphenyl)phenyl]-3,5-dimethoxybenzene
CID 139197183
1-[2-(3,5-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene
CID 4670736
1,3,5-trimethoxybenzene;urea
CID 174919725
1-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene
CID 139077239

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-5-(trimethoxymethyl)benzene?
The IUPAC name of 1,3-dimethoxy-5-(trimethoxymethyl)benzene (CID 103399645) is 1,3-dimethoxy-5-(trimethoxymethyl)benzene.
What is the SMILES notation for 1,3-dimethoxy-5-(trimethoxymethyl)benzene?
The canonical SMILES for 1,3-dimethoxy-5-(trimethoxymethyl)benzene is COc1cc(OC)cc(C(OC)(OC)OC)c1.
What is the InChIKey of 1,3-dimethoxy-5-(trimethoxymethyl)benzene?
The InChIKey is RITCVAOPFYDYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O5/c1-13-10-6-9(7-11(8-10)14-2)12(15-3,16-4)17-5/h6-8H,1-5H3.
What are the key properties of 1,3-dimethoxy-5-(trimethoxymethyl)benzene?
1,3-dimethoxy-5-(trimethoxymethyl)benzene has a molecular weight of 242.27 g/mol, XLogP of 1.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-5-(trimethoxymethyl)benzene is sourced from PubChem (CID 103399645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).