3-methyl-4-(2-methyl-5-methylideneoxolan-3-yl)cyclopentan-1-one

C12H18O2 — CID 138636103

IUPAC3-methyl-4-(2-methyl-5-methylideneoxolan-3-yl)cyclopentan-1-one
SMILESC=C1CC(C2CC(=O)CC2C)C(C)O1
InChIInChI=1S/C12H18O2/c1-7-4-10(13)6-11(7)12-5-8(2)14-9(12)3/h7,9,11-12H,2,4-6H2,1,3H3
InChIKeyWBDLWDVASFKSFK-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.54
Rot. Bonds1

About 3-methyl-4-(2-methyl-5-methylideneoxolan-3-yl)cyclopentan-1-one

3-methyl-4-(2-methyl-5-methylideneoxolan-3-yl)cyclopentan-1-one (PubChem CID 138636103) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 3-methyl-4-(2-methyl-5-methylideneoxolan-3-yl)cyclopentan-1-one.

Molecular Properties

Compound Name3-methyl-4-(2-methyl-5-methylideneoxolan-3-yl)cyclopentan-1-one
PubChem CID138636103
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name3-methyl-4-(2-methyl-5-methylideneoxolan-3-yl)cyclopentan-1-one
SMILESC=C1CC(C2CC(=O)CC2C)C(C)O1
InChIInChI=1S/C12H18O2/c1-7-4-10(13)6-11(7)12-5-8(2)14-9(12)3/h7,9,11-12H,2,4-6H2,1,3H3
InChIKeyWBDLWDVASFKSFK-UHFFFAOYSA-N
XLogP2.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-methyl-5-methylideneoxolan-3-yl)cyclopentan-1-one?
The IUPAC name of 3-methyl-4-(2-methyl-5-methylideneoxolan-3-yl)cyclopentan-1-one (CID 138636103) is 3-methyl-4-(2-methyl-5-methylideneoxolan-3-yl)cyclopentan-1-one.
What is the SMILES notation for 3-methyl-4-(2-methyl-5-methylideneoxolan-3-yl)cyclopentan-1-one?
The canonical SMILES for 3-methyl-4-(2-methyl-5-methylideneoxolan-3-yl)cyclopentan-1-one is C=C1CC(C2CC(=O)CC2C)C(C)O1.
What is the InChIKey of 3-methyl-4-(2-methyl-5-methylideneoxolan-3-yl)cyclopentan-1-one?
The InChIKey is WBDLWDVASFKSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-7-4-10(13)6-11(7)12-5-8(2)14-9(12)3/h7,9,11-12H,2,4-6H2,1,3H3.
What are the key properties of 3-methyl-4-(2-methyl-5-methylideneoxolan-3-yl)cyclopentan-1-one?
3-methyl-4-(2-methyl-5-methylideneoxolan-3-yl)cyclopentan-1-one has a molecular weight of 194.27 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-methyl-5-methylideneoxolan-3-yl)cyclopentan-1-one is sourced from PubChem (CID 138636103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).