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

C10H20O2 — CID 59006413

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

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

1,1-bis(methoxymethyl)-3,3-dimethylcyclobutane (PubChem CID 59006413) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1,1-bis(methoxymethyl)-3,3-dimethylcyclobutane.

Molecular Properties

Compound Name1,1-bis(methoxymethyl)-3,3-dimethylcyclobutane
PubChem CID59006413
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name1,1-bis(methoxymethyl)-3,3-dimethylcyclobutane
SMILESCOCC1(COC)CC(C)(C)C1
InChIInChI=1S/C10H20O2/c1-9(2)5-10(6-9,7-11-3)8-12-4/h5-8H2,1-4H3
InChIKeyMCGDZISJLLLBOR-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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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(methoxymethyl)-3,3-dimethylcyclobutane?
The IUPAC name of 1,1-bis(methoxymethyl)-3,3-dimethylcyclobutane (CID 59006413) is 1,1-bis(methoxymethyl)-3,3-dimethylcyclobutane.
What is the SMILES notation for 1,1-bis(methoxymethyl)-3,3-dimethylcyclobutane?
The canonical SMILES for 1,1-bis(methoxymethyl)-3,3-dimethylcyclobutane is COCC1(COC)CC(C)(C)C1.
What is the InChIKey of 1,1-bis(methoxymethyl)-3,3-dimethylcyclobutane?
The InChIKey is MCGDZISJLLLBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-9(2)5-10(6-9,7-11-3)8-12-4/h5-8H2,1-4H3.
What are the key properties of 1,1-bis(methoxymethyl)-3,3-dimethylcyclobutane?
1,1-bis(methoxymethyl)-3,3-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 1,1-bis(methoxymethyl)-3,3-dimethylcyclobutane is sourced from PubChem (CID 59006413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).