5,5-dimethyl-4-propyloxan-2-one

C10H18O2 — CID 143693600

IUPAC5,5-dimethyl-4-propyloxan-2-one
SMILESCCCC1CC(=O)OCC1(C)C
InChIInChI=1S/C10H18O2/c1-4-5-8-6-9(11)12-7-10(8,2)3/h8H,4-7H2,1-3H3
InChIKeyHWVNMOAYOCPTGM-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.38
Rot. Bonds2

About 5,5-dimethyl-4-propyloxan-2-one

5,5-dimethyl-4-propyloxan-2-one (PubChem CID 143693600) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 5,5-dimethyl-4-propyloxan-2-one.

Molecular Properties

Compound Name5,5-dimethyl-4-propyloxan-2-one
PubChem CID143693600
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name5,5-dimethyl-4-propyloxan-2-one
SMILESCCCC1CC(=O)OCC1(C)C
InChIInChI=1S/C10H18O2/c1-4-5-8-6-9(11)12-7-10(8,2)3/h8H,4-7H2,1-3H3
InChIKeyHWVNMOAYOCPTGM-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-5-propyloxan-2-one
CID 89207971
(4R,5S)-4,5-dibutyloxan-2-one
CID 101419586
4-propoxyoxolan-2-one
CID 143714534
(2S,4S)-4-hydroxy-5,5-dimethyl-2-propyloxan-3-one
CID 130891192
3,3-dimethyl-4-propylpyrrolidin-2-one
CID 89424311
5-hydroxy-4-propyloxolan-2-one
CID 23531071
1-ethyl-1-methyl-2-propylcyclopropane
CID 72514753
6-methyl-5-propyl-7-oxabicyclo[4.1.0]heptan-2-one
CID 10397190
3a-methyl-5-propyl-3,4,5,6,7,7a-hexahydro-2-benzofuran-1-one
CID 143875983
ethane;3-propyloxolane-2,5-dione
CID 143734634
1-methyl-2-propylcyclopropane-1-sulfonamide
CID 146968934
3-fluoro-4,4-dimethyloxolan-2-one
CID 102597202

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-4-propyloxan-2-one?
The IUPAC name of 5,5-dimethyl-4-propyloxan-2-one (CID 143693600) is 5,5-dimethyl-4-propyloxan-2-one.
What is the SMILES notation for 5,5-dimethyl-4-propyloxan-2-one?
The canonical SMILES for 5,5-dimethyl-4-propyloxan-2-one is CCCC1CC(=O)OCC1(C)C.
What is the InChIKey of 5,5-dimethyl-4-propyloxan-2-one?
The InChIKey is HWVNMOAYOCPTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-5-8-6-9(11)12-7-10(8,2)3/h8H,4-7H2,1-3H3.
What are the key properties of 5,5-dimethyl-4-propyloxan-2-one?
5,5-dimethyl-4-propyloxan-2-one has a molecular weight of 170.25 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-4-propyloxan-2-one is sourced from PubChem (CID 143693600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).