1-(methoxymethyl)-1-propan-2-ylcyclobutane

C9H18O — CID 90167872

IUPAC1-(methoxymethyl)-1-propan-2-ylcyclobutane
SMILESCOCC1(C(C)C)CCC1
InChIInChI=1S/C9H18O/c1-8(2)9(7-10-3)5-4-6-9/h8H,4-7H2,1-3H3
InChIKeyDDUULZPJIVCUJR-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.46
Rot. Bonds3

About 1-(methoxymethyl)-1-propan-2-ylcyclobutane

1-(methoxymethyl)-1-propan-2-ylcyclobutane (PubChem CID 90167872) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 1-(methoxymethyl)-1-propan-2-ylcyclobutane.

Molecular Properties

Compound Name1-(methoxymethyl)-1-propan-2-ylcyclobutane
PubChem CID90167872
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name1-(methoxymethyl)-1-propan-2-ylcyclobutane
SMILESCOCC1(C(C)C)CCC1
InChIInChI=1S/C9H18O/c1-8(2)9(7-10-3)5-4-6-9/h8H,4-7H2,1-3H3
InChIKeyDDUULZPJIVCUJR-UHFFFAOYSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-1-propan-2-ylcyclobutane?
The IUPAC name of 1-(methoxymethyl)-1-propan-2-ylcyclobutane (CID 90167872) is 1-(methoxymethyl)-1-propan-2-ylcyclobutane.
What is the SMILES notation for 1-(methoxymethyl)-1-propan-2-ylcyclobutane?
The canonical SMILES for 1-(methoxymethyl)-1-propan-2-ylcyclobutane is COCC1(C(C)C)CCC1.
What is the InChIKey of 1-(methoxymethyl)-1-propan-2-ylcyclobutane?
The InChIKey is DDUULZPJIVCUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-8(2)9(7-10-3)5-4-6-9/h8H,4-7H2,1-3H3.
What are the key properties of 1-(methoxymethyl)-1-propan-2-ylcyclobutane?
1-(methoxymethyl)-1-propan-2-ylcyclobutane has a molecular weight of 142.24 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-1-propan-2-ylcyclobutane is sourced from PubChem (CID 90167872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).