(4R,5S)-4-methyl-5-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]oxolan-2-one

C11H18O4 — CID 138511659

IUPAC(4R,5S)-4-methyl-5-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]oxolan-2-one
SMILESC[C@@H]1CC(=O)O[C@@H]1[C@H]1OC(C)(C)O[C@H]1C
InChIInChI=1S/C11H18O4/c1-6-5-8(12)13-9(6)10-7(2)14-11(3,4)15-10/h6-7,9-10H,5H2,1-4H3/t6-,7+,9+,10+/m1/s1
InChIKeyADFYUSRQHPLPFT-KKHAAJSZSA-N
MW214.26 g/mol
LogP1.48
Rot. Bonds1

About (4R,5S)-4-methyl-5-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]oxolan-2-one

(4R,5S)-4-methyl-5-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]oxolan-2-one (PubChem CID 138511659) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is (4R,5S)-4-methyl-5-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]oxolan-2-one.

Molecular Properties

Compound Name(4R,5S)-4-methyl-5-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]oxolan-2-one
PubChem CID138511659
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name(4R,5S)-4-methyl-5-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]oxolan-2-one
SMILESC[C@@H]1CC(=O)O[C@@H]1[C@H]1OC(C)(C)O[C@H]1C
InChIInChI=1S/C11H18O4/c1-6-5-8(12)13-9(6)10-7(2)14-11(3,4)15-10/h6-7,9-10H,5H2,1-4H3/t6-,7+,9+,10+/m1/s1
InChIKeyADFYUSRQHPLPFT-KKHAAJSZSA-N
XLogP1.48
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-methyl-5-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]oxolan-2-one?
The IUPAC name of (4R,5S)-4-methyl-5-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]oxolan-2-one (CID 138511659) is (4R,5S)-4-methyl-5-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]oxolan-2-one.
What is the SMILES notation for (4R,5S)-4-methyl-5-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]oxolan-2-one?
The canonical SMILES for (4R,5S)-4-methyl-5-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]oxolan-2-one is C[C@@H]1CC(=O)O[C@@H]1[C@H]1OC(C)(C)O[C@H]1C.
What is the InChIKey of (4R,5S)-4-methyl-5-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]oxolan-2-one?
The InChIKey is ADFYUSRQHPLPFT-KKHAAJSZSA-N. The full InChI is InChI=1S/C11H18O4/c1-6-5-8(12)13-9(6)10-7(2)14-11(3,4)15-10/h6-7,9-10H,5H2,1-4H3/t6-,7+,9+,10+/m1/s1.
What are the key properties of (4R,5S)-4-methyl-5-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]oxolan-2-one?
(4R,5S)-4-methyl-5-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]oxolan-2-one has a molecular weight of 214.26 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-methyl-5-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]oxolan-2-one is sourced from PubChem (CID 138511659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).