1,3-bis(methoxymethyl)-1,3-dimethylcyclobutane

C10H20O2 — CID 20689593

IUPAC1,3-bis(methoxymethyl)-1,3-dimethylcyclobutane
SMILESCOCC1(C)CC(C)(COC)C1
InChIInChI=1S/C10H20O2/c1-9(7-11-3)5-10(2,6-9)8-12-4/h5-8H2,1-4H3
InChIKeyUFAQTPHDMOPHFS-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.09
Rot. Bonds4

About 1,3-bis(methoxymethyl)-1,3-dimethylcyclobutane

1,3-bis(methoxymethyl)-1,3-dimethylcyclobutane (PubChem CID 20689593) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1,3-bis(methoxymethyl)-1,3-dimethylcyclobutane.

Molecular Properties

Compound Name1,3-bis(methoxymethyl)-1,3-dimethylcyclobutane
PubChem CID20689593
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name1,3-bis(methoxymethyl)-1,3-dimethylcyclobutane
SMILESCOCC1(C)CC(C)(COC)C1
InChIInChI=1S/C10H20O2/c1-9(7-11-3)5-10(2,6-9)8-12-4/h5-8H2,1-4H3
InChIKeyUFAQTPHDMOPHFS-UHFFFAOYSA-N
XLogP2.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-bis(methoxymethyl)-3,3-dimethylcyclobutane
CID 59006413
1-(methoxymethyl)-1,3,3,5-tetramethylcyclohexane
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[3-diphenylphosphanyl-1,3,5-tris(methoxymethyl)-5-methylcyclohexyl]-diphenylphosphane
CID 58239955
(7S)-7-(methoxymethyl)-7-methyl-1,4-dioxaspiro[4.5]decane
CID 129379894
[7-(methoxymethyl)-7-methyl-3-bicyclo[3.3.1]nonanyl]methanol
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2-[4-(methoxymethyl)-4-methylpiperidin-1-yl]acetic acid
CID 121203104
but-1-ene;3-(methoxymethyl)-3-methyloxetane
CID 159175091
1-iodo-4-(methoxymethyl)-4-methyl-1-(trifluoromethyl)cyclohexane
CID 130333313
3-ethyl-3-(methoxymethyl)oxetane;3-(methoxymethyl)-3-methyloxetane
CID 159055138
ethane;1-ethenyl-1-methylcyclopentane;1-(methoxymethyl)-1-methylcyclopentane
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1-(methoxymethyl)-1-methyl-3-propan-2-ylcyclopentane
CID 141214985
[3-(methoxymethyl)-1-bicyclo[1.1.1]pentanyl]methanamine
CID 155893295

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(methoxymethyl)-1,3-dimethylcyclobutane?
The IUPAC name of 1,3-bis(methoxymethyl)-1,3-dimethylcyclobutane (CID 20689593) is 1,3-bis(methoxymethyl)-1,3-dimethylcyclobutane.
What is the SMILES notation for 1,3-bis(methoxymethyl)-1,3-dimethylcyclobutane?
The canonical SMILES for 1,3-bis(methoxymethyl)-1,3-dimethylcyclobutane is COCC1(C)CC(C)(COC)C1.
What is the InChIKey of 1,3-bis(methoxymethyl)-1,3-dimethylcyclobutane?
The InChIKey is UFAQTPHDMOPHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-9(7-11-3)5-10(2,6-9)8-12-4/h5-8H2,1-4H3.
What are the key properties of 1,3-bis(methoxymethyl)-1,3-dimethylcyclobutane?
1,3-bis(methoxymethyl)-1,3-dimethylcyclobutane has a molecular weight of 172.27 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(methoxymethyl)-1,3-dimethylcyclobutane is sourced from PubChem (CID 20689593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).