1-(3-propan-2-yloxycyclobutyl)oxypropan-2-one

C10H18O3 — CID 159714085

IUPAC1-(3-propan-2-yloxycyclobutyl)oxypropan-2-one
SMILESCC(=O)COC1CC(OC(C)C)C1
InChIInChI=1S/C10H18O3/c1-7(2)13-10-4-9(5-10)12-6-8(3)11/h7,9-10H,4-6H2,1-3H3
InChIKeyMFSWIKTVTKWESD-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.55
Rot. Bonds5

About 1-(3-propan-2-yloxycyclobutyl)oxypropan-2-one

1-(3-propan-2-yloxycyclobutyl)oxypropan-2-one (PubChem CID 159714085) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-(3-propan-2-yloxycyclobutyl)oxypropan-2-one.

Molecular Properties

Compound Name1-(3-propan-2-yloxycyclobutyl)oxypropan-2-one
PubChem CID159714085
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name1-(3-propan-2-yloxycyclobutyl)oxypropan-2-one
SMILESCC(=O)COC1CC(OC(C)C)C1
InChIInChI=1S/C10H18O3/c1-7(2)13-10-4-9(5-10)12-6-8(3)11/h7,9-10H,4-6H2,1-3H3
InChIKeyMFSWIKTVTKWESD-UHFFFAOYSA-N
XLogP1.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylpropyl)-3-propan-2-yloxycyclobutane
CID 153444524
1-(3-propan-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 131971592
1-[(3R)-1-methylpyrrolidin-3-yl]oxypropan-2-one
CID 162750810
cis-(1S,3R)-1,3-dimethyl-5-propan-2-yloxycyclohexane
CID 130223743
1-bromo-3-propan-2-yloxycyclobutane
CID 66344883
N-methyl-N-[2-(1-methylazetidin-3-yl)oxyethyl]-4-(3-propan-2-yloxycyclobutyl)oxybutanamide
CID 142365350
3,3-dimethyl-1-[4-(2-oxopropoxy)piperidin-1-yl]butan-1-one
CID 70966601
2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl chloride
CID 139512501
1-(3-methoxycyclohexyl)oxy-3-methylbutan-2-one
CID 79396046
propan-2-yl 2-(azetidin-3-yloxy)acetate
CID 106939880
methyl 3-[3-(3-oxobutoxy)cyclobutyl]oxypropanoate
CID 174153934
1-[2-(hydroxymethyl)-4-propan-2-yloxypyrrolidin-1-yl]pentan-1-one
CID 59730691

Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-yloxycyclobutyl)oxypropan-2-one?
The IUPAC name of 1-(3-propan-2-yloxycyclobutyl)oxypropan-2-one (CID 159714085) is 1-(3-propan-2-yloxycyclobutyl)oxypropan-2-one.
What is the SMILES notation for 1-(3-propan-2-yloxycyclobutyl)oxypropan-2-one?
The canonical SMILES for 1-(3-propan-2-yloxycyclobutyl)oxypropan-2-one is CC(=O)COC1CC(OC(C)C)C1.
What is the InChIKey of 1-(3-propan-2-yloxycyclobutyl)oxypropan-2-one?
The InChIKey is MFSWIKTVTKWESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-7(2)13-10-4-9(5-10)12-6-8(3)11/h7,9-10H,4-6H2,1-3H3.
What are the key properties of 1-(3-propan-2-yloxycyclobutyl)oxypropan-2-one?
1-(3-propan-2-yloxycyclobutyl)oxypropan-2-one has a molecular weight of 186.25 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-yloxycyclobutyl)oxypropan-2-one is sourced from PubChem (CID 159714085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).