1-(4,4-dimethyloxolan-3-yl)-2-methylpropan-1-one

C10H18O2 — CID 130704815

IUPAC1-(4,4-dimethyloxolan-3-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)C1COCC1(C)C
InChIInChI=1S/C10H18O2/c1-7(2)9(11)8-5-12-6-10(8,3)4/h7-8H,5-6H2,1-4H3
InChIKeySOHGPXIRIOPDBL-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.88
Rot. Bonds2

About 1-(4,4-dimethyloxolan-3-yl)-2-methylpropan-1-one

1-(4,4-dimethyloxolan-3-yl)-2-methylpropan-1-one (PubChem CID 130704815) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 1-(4,4-dimethyloxolan-3-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(4,4-dimethyloxolan-3-yl)-2-methylpropan-1-one
PubChem CID130704815
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name1-(4,4-dimethyloxolan-3-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)C1COCC1(C)C
InChIInChI=1S/C10H18O2/c1-7(2)9(11)8-5-12-6-10(8,3)4/h7-8H,5-6H2,1-4H3
InChIKeySOHGPXIRIOPDBL-UHFFFAOYSA-N
XLogP1.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethyloxolan-3-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(4,4-dimethyloxolan-3-yl)-2-methylpropan-1-one (CID 130704815) is 1-(4,4-dimethyloxolan-3-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(4,4-dimethyloxolan-3-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(4,4-dimethyloxolan-3-yl)-2-methylpropan-1-one is CC(C)C(=O)C1COCC1(C)C.
What is the InChIKey of 1-(4,4-dimethyloxolan-3-yl)-2-methylpropan-1-one?
The InChIKey is SOHGPXIRIOPDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-7(2)9(11)8-5-12-6-10(8,3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 1-(4,4-dimethyloxolan-3-yl)-2-methylpropan-1-one?
1-(4,4-dimethyloxolan-3-yl)-2-methylpropan-1-one has a molecular weight of 170.25 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethyloxolan-3-yl)-2-methylpropan-1-one is sourced from PubChem (CID 130704815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).