5-(cyclobutylmethyl)-5-methyloxolan-2-one

C10H16O2 — CID 103439680

IUPAC5-(cyclobutylmethyl)-5-methyloxolan-2-one
SMILESCC1(CC2CCC2)CCC(=O)O1
InChIInChI=1S/C10H16O2/c1-10(6-5-9(11)12-10)7-8-3-2-4-8/h8H,2-7H2,1H3
InChIKeyBLRCRIAEQVWLGW-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.27
Rot. Bonds2

About 5-(cyclobutylmethyl)-5-methyloxolan-2-one

5-(cyclobutylmethyl)-5-methyloxolan-2-one (PubChem CID 103439680) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 5-(cyclobutylmethyl)-5-methyloxolan-2-one.

Molecular Properties

Compound Name5-(cyclobutylmethyl)-5-methyloxolan-2-one
PubChem CID103439680
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name5-(cyclobutylmethyl)-5-methyloxolan-2-one
SMILESCC1(CC2CCC2)CCC(=O)O1
InChIInChI=1S/C10H16O2/c1-10(6-5-9(11)12-10)7-8-3-2-4-8/h8H,2-7H2,1H3
InChIKeyBLRCRIAEQVWLGW-UHFFFAOYSA-N
XLogP2.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclohexylmethyl)-2-methyl-3,4-dihydrochromene
CID 86188414
5-methyl-5-(2-trimethylsilylethyl)oxolan-2-one
CID 10987279
5-methyl-5-prop-2-ynyloxolan-2-one
CID 13357607
5-methyl-5-[2-(2,2,6-trimethylcyclohexyl)ethyl]oxolan-2-one
CID 177002568
5-(ethoxymethyl)-5-methyloxolan-2-one
CID 103439717
5-(2-hydroxy-2-methylpropyl)-5-methyloxolan-2-one
CID 174285026
(6R)-6-(hydroxymethyl)-6-methyloxan-2-one
CID 129388764
(6S)-6-(hydroxymethyl)-6-methyloxan-2-one
CID 14165937
methyl 2-(2-methyl-5-oxooxolan-2-yl)acetate
CID 14542737
2-(cyclobutylmethyl)-2-methyl-3H-chromen-4-one
CID 114671506
5-[(Z)-hex-3-enyl]-5-methyloxolan-2-one
CID 11332852
2,3,5-trimethyl-6-[2-(2-methyl-5-oxooxolan-2-yl)ethyl]cyclohexa-2,5-diene-1,4-dione
CID 3081993

Frequently Asked Questions

What is the IUPAC name of 5-(cyclobutylmethyl)-5-methyloxolan-2-one?
The IUPAC name of 5-(cyclobutylmethyl)-5-methyloxolan-2-one (CID 103439680) is 5-(cyclobutylmethyl)-5-methyloxolan-2-one.
What is the SMILES notation for 5-(cyclobutylmethyl)-5-methyloxolan-2-one?
The canonical SMILES for 5-(cyclobutylmethyl)-5-methyloxolan-2-one is CC1(CC2CCC2)CCC(=O)O1.
What is the InChIKey of 5-(cyclobutylmethyl)-5-methyloxolan-2-one?
The InChIKey is BLRCRIAEQVWLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-10(6-5-9(11)12-10)7-8-3-2-4-8/h8H,2-7H2,1H3.
What are the key properties of 5-(cyclobutylmethyl)-5-methyloxolan-2-one?
5-(cyclobutylmethyl)-5-methyloxolan-2-one has a molecular weight of 168.24 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclobutylmethyl)-5-methyloxolan-2-one is sourced from PubChem (CID 103439680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).