1-(propan-2-yloxymethyl)bicyclo[1.1.1]pentane

C9H16O — CID 170521217

IUPAC1-(propan-2-yloxymethyl)bicyclo[1.1.1]pentane
SMILESCC(C)OCC12CC(C1)C2
InChIInChI=1S/C9H16O/c1-7(2)10-6-9-3-8(4-9)5-9/h7-8H,3-6H2,1-2H3
InChIKeyGQWZWFXNSOPJBP-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.21
Rot. Bonds3

About 1-(propan-2-yloxymethyl)bicyclo[1.1.1]pentane

1-(propan-2-yloxymethyl)bicyclo[1.1.1]pentane (PubChem CID 170521217) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-(propan-2-yloxymethyl)bicyclo[1.1.1]pentane.

Molecular Properties

Compound Name1-(propan-2-yloxymethyl)bicyclo[1.1.1]pentane
PubChem CID170521217
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name1-(propan-2-yloxymethyl)bicyclo[1.1.1]pentane
SMILESCC(C)OCC12CC(C1)C2
InChIInChI=1S/C9H16O/c1-7(2)10-6-9-3-8(4-9)5-9/h7-8H,3-6H2,1-2H3
InChIKeyGQWZWFXNSOPJBP-UHFFFAOYSA-N
XLogP2.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-yloxymethyl)bicyclo[1.1.1]pentane?
The IUPAC name of 1-(propan-2-yloxymethyl)bicyclo[1.1.1]pentane (CID 170521217) is 1-(propan-2-yloxymethyl)bicyclo[1.1.1]pentane.
What is the SMILES notation for 1-(propan-2-yloxymethyl)bicyclo[1.1.1]pentane?
The canonical SMILES for 1-(propan-2-yloxymethyl)bicyclo[1.1.1]pentane is CC(C)OCC12CC(C1)C2.
What is the InChIKey of 1-(propan-2-yloxymethyl)bicyclo[1.1.1]pentane?
The InChIKey is GQWZWFXNSOPJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-7(2)10-6-9-3-8(4-9)5-9/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-(propan-2-yloxymethyl)bicyclo[1.1.1]pentane?
1-(propan-2-yloxymethyl)bicyclo[1.1.1]pentane has a molecular weight of 140.23 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-yloxymethyl)bicyclo[1.1.1]pentane is sourced from PubChem (CID 170521217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).