1-tert-butyl-3,5-bis(methoxymethyl)benzene

C14H22O2 — CID 123490967

IUPAC1-tert-butyl-3,5-bis(methoxymethyl)benzene
SMILESCOCc1cc(COC)cc(C(C)(C)C)c1
InChIInChI=1S/C14H22O2/c1-14(2,3)13-7-11(9-15-4)6-12(8-13)10-16-5/h6-8H,9-10H2,1-5H3
InChIKeyBYFRDCBXSMHDRU-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.28
Rot. Bonds4

About 1-tert-butyl-3,5-bis(methoxymethyl)benzene

1-tert-butyl-3,5-bis(methoxymethyl)benzene (PubChem CID 123490967) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-tert-butyl-3,5-bis(methoxymethyl)benzene.

Molecular Properties

Compound Name1-tert-butyl-3,5-bis(methoxymethyl)benzene
PubChem CID123490967
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name1-tert-butyl-3,5-bis(methoxymethyl)benzene
SMILESCOCc1cc(COC)cc(C(C)(C)C)c1
InChIInChI=1S/C14H22O2/c1-14(2,3)13-7-11(9-15-4)6-12(8-13)10-16-5/h6-8H,9-10H2,1-5H3
InChIKeyBYFRDCBXSMHDRU-UHFFFAOYSA-N
XLogP3.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-methoxy-5-(methoxymethyl)phenyl]-2-methylpropan-1-ol
CID 117322386
1-tert-butyl-3-fluoro-5-(methoxymethyl)-2-methylbenzene
CID 146424482
(3,5-ditert-butylphenyl)methyl hydrogen carbonate
CID 67161343
1-ethyl-3-(methoxymethyl)benzene
CID 54065687
5-(methoxymethyl)-1,2,3-trimethylbenzene
CID 23572077
2-[3-(methoxymethyl)phenyl]-2-methylpropan-1-ol
CID 117284756
methyl 3-tert-butyl-5-(ethoxymethyl)benzoate
CID 58136853
2-(2,2-dimethylpropoxy)-1,3,5-tris(methoxymethyl)benzene
CID 157212887
1-[3-(methoxymethyl)phenyl]-2-methylpropan-2-amine
CID 117284060
4-tert-butyl-2-(methoxymethyl)thiophene
CID 59332632
1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]-diphenylmethyl]benzene
CID 138632205
1-tert-butyl-3-ethyl-5-methoxybenzene
CID 154541543

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3,5-bis(methoxymethyl)benzene?
The IUPAC name of 1-tert-butyl-3,5-bis(methoxymethyl)benzene (CID 123490967) is 1-tert-butyl-3,5-bis(methoxymethyl)benzene.
What is the SMILES notation for 1-tert-butyl-3,5-bis(methoxymethyl)benzene?
The canonical SMILES for 1-tert-butyl-3,5-bis(methoxymethyl)benzene is COCc1cc(COC)cc(C(C)(C)C)c1.
What is the InChIKey of 1-tert-butyl-3,5-bis(methoxymethyl)benzene?
The InChIKey is BYFRDCBXSMHDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-14(2,3)13-7-11(9-15-4)6-12(8-13)10-16-5/h6-8H,9-10H2,1-5H3.
What are the key properties of 1-tert-butyl-3,5-bis(methoxymethyl)benzene?
1-tert-butyl-3,5-bis(methoxymethyl)benzene has a molecular weight of 222.33 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3,5-bis(methoxymethyl)benzene is sourced from PubChem (CID 123490967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).