(2S)-3-methyl-2-[(2R,3R)-3-methyloxolan-2-yl]cyclopentan-1-one

C11H18O2 — CID 59090541

IUPAC(2S)-3-methyl-2-[(2R,3R)-3-methyloxolan-2-yl]cyclopentan-1-one
SMILESCC1CCC(=O)[C@@H]1[C@@H]1OCC[C@H]1C
InChIInChI=1S/C11H18O2/c1-7-3-4-9(12)10(7)11-8(2)5-6-13-11/h7-8,10-11H,3-6H2,1-2H3/t7?,8-,10-,11-/m1/s1
InChIKeyMNVZWBMKQKYWQR-QGPDOHACSA-N
MW182.26 g/mol
LogP2.03
Rot. Bonds1

About (2S)-3-methyl-2-[(2R,3R)-3-methyloxolan-2-yl]cyclopentan-1-one

(2S)-3-methyl-2-[(2R,3R)-3-methyloxolan-2-yl]cyclopentan-1-one (PubChem CID 59090541) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (2S)-3-methyl-2-[(2R,3R)-3-methyloxolan-2-yl]cyclopentan-1-one.

Molecular Properties

Compound Name(2S)-3-methyl-2-[(2R,3R)-3-methyloxolan-2-yl]cyclopentan-1-one
PubChem CID59090541
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(2S)-3-methyl-2-[(2R,3R)-3-methyloxolan-2-yl]cyclopentan-1-one
SMILESCC1CCC(=O)[C@@H]1[C@@H]1OCC[C@H]1C
InChIInChI=1S/C11H18O2/c1-7-3-4-9(12)10(7)11-8(2)5-6-13-11/h7-8,10-11H,3-6H2,1-2H3/t7?,8-,10-,11-/m1/s1
InChIKeyMNVZWBMKQKYWQR-QGPDOHACSA-N
XLogP2.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-[(2R,3R)-3-methyloxolan-2-yl]cyclopentan-1-one?
The IUPAC name of (2S)-3-methyl-2-[(2R,3R)-3-methyloxolan-2-yl]cyclopentan-1-one (CID 59090541) is (2S)-3-methyl-2-[(2R,3R)-3-methyloxolan-2-yl]cyclopentan-1-one.
What is the SMILES notation for (2S)-3-methyl-2-[(2R,3R)-3-methyloxolan-2-yl]cyclopentan-1-one?
The canonical SMILES for (2S)-3-methyl-2-[(2R,3R)-3-methyloxolan-2-yl]cyclopentan-1-one is CC1CCC(=O)[C@@H]1[C@@H]1OCC[C@H]1C.
What is the InChIKey of (2S)-3-methyl-2-[(2R,3R)-3-methyloxolan-2-yl]cyclopentan-1-one?
The InChIKey is MNVZWBMKQKYWQR-QGPDOHACSA-N. The full InChI is InChI=1S/C11H18O2/c1-7-3-4-9(12)10(7)11-8(2)5-6-13-11/h7-8,10-11H,3-6H2,1-2H3/t7?,8-,10-,11-/m1/s1.
What are the key properties of (2S)-3-methyl-2-[(2R,3R)-3-methyloxolan-2-yl]cyclopentan-1-one?
(2S)-3-methyl-2-[(2R,3R)-3-methyloxolan-2-yl]cyclopentan-1-one has a molecular weight of 182.26 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-[(2R,3R)-3-methyloxolan-2-yl]cyclopentan-1-one is sourced from PubChem (CID 59090541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).