(5S)-5-[(2R)-5,5-dimethyloxolan-2-yl]-5-methyloxolan-2-one

C11H18O3 — CID 10976452

IUPAC(5S)-5-[(2R)-5,5-dimethyloxolan-2-yl]-5-methyloxolan-2-one
SMILESCC1(C)CC[C@H]([C@]2(C)CCC(=O)O2)O1
InChIInChI=1S/C11H18O3/c1-10(2)6-4-8(13-10)11(3)7-5-9(12)14-11/h8H,4-7H2,1-3H3/t8-,11+/m1/s1
InChIKeyVWGVLBQSESJNIU-KCJUWKMLSA-N
MW198.26 g/mol
LogP2.04
Rot. Bonds1

About (5S)-5-[(2R)-5,5-dimethyloxolan-2-yl]-5-methyloxolan-2-one

(5S)-5-[(2R)-5,5-dimethyloxolan-2-yl]-5-methyloxolan-2-one (PubChem CID 10976452) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is (5S)-5-[(2R)-5,5-dimethyloxolan-2-yl]-5-methyloxolan-2-one.

Molecular Properties

Compound Name(5S)-5-[(2R)-5,5-dimethyloxolan-2-yl]-5-methyloxolan-2-one
PubChem CID10976452
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name(5S)-5-[(2R)-5,5-dimethyloxolan-2-yl]-5-methyloxolan-2-one
SMILESCC1(C)CC[C@H]([C@]2(C)CCC(=O)O2)O1
InChIInChI=1S/C11H18O3/c1-10(2)6-4-8(13-10)11(3)7-5-9(12)14-11/h8H,4-7H2,1-3H3/t8-,11+/m1/s1
InChIKeyVWGVLBQSESJNIU-KCJUWKMLSA-N
XLogP2.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(2R)-5,5-dimethyloxolan-2-yl]-5-methyloxolan-2-one?
The IUPAC name of (5S)-5-[(2R)-5,5-dimethyloxolan-2-yl]-5-methyloxolan-2-one (CID 10976452) is (5S)-5-[(2R)-5,5-dimethyloxolan-2-yl]-5-methyloxolan-2-one.
What is the SMILES notation for (5S)-5-[(2R)-5,5-dimethyloxolan-2-yl]-5-methyloxolan-2-one?
The canonical SMILES for (5S)-5-[(2R)-5,5-dimethyloxolan-2-yl]-5-methyloxolan-2-one is CC1(C)CC[C@H]([C@]2(C)CCC(=O)O2)O1.
What is the InChIKey of (5S)-5-[(2R)-5,5-dimethyloxolan-2-yl]-5-methyloxolan-2-one?
The InChIKey is VWGVLBQSESJNIU-KCJUWKMLSA-N. The full InChI is InChI=1S/C11H18O3/c1-10(2)6-4-8(13-10)11(3)7-5-9(12)14-11/h8H,4-7H2,1-3H3/t8-,11+/m1/s1.
What are the key properties of (5S)-5-[(2R)-5,5-dimethyloxolan-2-yl]-5-methyloxolan-2-one?
(5S)-5-[(2R)-5,5-dimethyloxolan-2-yl]-5-methyloxolan-2-one has a molecular weight of 198.26 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(2R)-5,5-dimethyloxolan-2-yl]-5-methyloxolan-2-one is sourced from PubChem (CID 10976452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).