3-(4-methylpentan-2-yloxy)cyclobutan-1-one

C10H18O2 — CID 66366397

IUPAC3-(4-methylpentan-2-yloxy)cyclobutan-1-one
SMILESCC(C)CC(C)OC1CC(=O)C1
InChIInChI=1S/C10H18O2/c1-7(2)4-8(3)12-10-5-9(11)6-10/h7-8,10H,4-6H2,1-3H3
InChIKeyUFBNZVRHEZYOIX-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.17
Rot. Bonds4

About 3-(4-methylpentan-2-yloxy)cyclobutan-1-one

3-(4-methylpentan-2-yloxy)cyclobutan-1-one (PubChem CID 66366397) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3-(4-methylpentan-2-yloxy)cyclobutan-1-one.

Molecular Properties

Compound Name3-(4-methylpentan-2-yloxy)cyclobutan-1-one
PubChem CID66366397
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3-(4-methylpentan-2-yloxy)cyclobutan-1-one
SMILESCC(C)CC(C)OC1CC(=O)C1
InChIInChI=1S/C10H18O2/c1-7(2)4-8(3)12-10-5-9(11)6-10/h7-8,10H,4-6H2,1-3H3
InChIKeyUFBNZVRHEZYOIX-UHFFFAOYSA-N
XLogP2.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-propan-2-yloxyethoxy)cyclobutan-1-one
CID 66368451
2-ethyl-2-methyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-one
CID 66366398
3-(3-methylbutyl)cyclobutan-1-one
CID 67500687
trans-(3R,5R)-3,5-dimethoxycyclohexan-1-one
CID 22213714
2-ethyl-2-methyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-amine
CID 66357192
(4R)-4-[(2S)-pentan-2-yl]oxypyrrolidin-2-one
CID 57229408
3-(4-methylpentan-2-yloxy)spiro[3.6]decan-1-amine
CID 66357190
3-ethoxycyclopentan-1-one
CID 15050470
4-[methyl(4-methylpentan-2-yl)amino]cyclohexan-1-one
CID 114762129
3-[(1R)-1-(methylamino)ethyl]cyclobutan-1-one
CID 129495426
(5R)-6-propan-2-ylbicyclo[3.1.0]hexan-3-one
CID 134443469
trans-(1R,2R)-2-[(1S,2S)-2-amino-1-hydroxy-4-methylpentyl]-4-oxocyclopentane-1-carboxylic acid
CID 137348030

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpentan-2-yloxy)cyclobutan-1-one?
The IUPAC name of 3-(4-methylpentan-2-yloxy)cyclobutan-1-one (CID 66366397) is 3-(4-methylpentan-2-yloxy)cyclobutan-1-one.
What is the SMILES notation for 3-(4-methylpentan-2-yloxy)cyclobutan-1-one?
The canonical SMILES for 3-(4-methylpentan-2-yloxy)cyclobutan-1-one is CC(C)CC(C)OC1CC(=O)C1.
What is the InChIKey of 3-(4-methylpentan-2-yloxy)cyclobutan-1-one?
The InChIKey is UFBNZVRHEZYOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-7(2)4-8(3)12-10-5-9(11)6-10/h7-8,10H,4-6H2,1-3H3.
What are the key properties of 3-(4-methylpentan-2-yloxy)cyclobutan-1-one?
3-(4-methylpentan-2-yloxy)cyclobutan-1-one has a molecular weight of 170.25 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpentan-2-yloxy)cyclobutan-1-one is sourced from PubChem (CID 66366397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).