(5R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxan-2-one

C11H18O4 — CID 134855131

IUPAC(5R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxan-2-one
SMILESC[C@@H]1CCC(=O)O[C@@H]1[C@H]1COC(C)(C)O1
InChIInChI=1S/C11H18O4/c1-7-4-5-9(12)14-10(7)8-6-13-11(2,3)15-8/h7-8,10H,4-6H2,1-3H3/t7-,8-,10+/m1/s1
InChIKeyUWLOLXABXBKSTD-MRTMQBJTSA-N
MW214.26 g/mol
LogP1.48
Rot. Bonds1

About (5R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxan-2-one

(5R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxan-2-one (PubChem CID 134855131) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is (5R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxan-2-one.

Molecular Properties

Compound Name(5R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxan-2-one
PubChem CID134855131
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name(5R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxan-2-one
SMILESC[C@@H]1CCC(=O)O[C@@H]1[C@H]1COC(C)(C)O1
InChIInChI=1S/C11H18O4/c1-7-4-5-9(12)14-10(7)8-6-13-11(2,3)15-8/h7-8,10H,4-6H2,1-3H3/t7-,8-,10+/m1/s1
InChIKeyUWLOLXABXBKSTD-MRTMQBJTSA-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

Analyze (5R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 1,4-dioxaspiro(4.5)decane-8-carboxylate
CID 10488810
Methyl 1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 10845708
Ethyl 1,4-dioxaspiro[4.5]decane-6-carboxylate
CID 336004
Methyl 3-(1,4-dioxaspiro[4.5]dec-6-yl)propanoate
CID 3791580
1,3-Dioxolane-2-acetic acid, 2-methyl-alpha-pentyl-, ethyl ester
CID 175122
Ethyl 2-(1,4-dioxaspiro[4.5]decan-8-yl)acetate
CID 15700391
Methyl 2-(1,4-dioxaspiro[4.5]decan-8-yl)acetate
CID 20711792
2-(1-Ethylpentyl)-1,3-dioxan-5-yl laurate
CID 16206193
Ethyl 3-(1,4-dioxaspiro[4.5]decan-6-yl)propanoate
CID 10562135
(5R,6R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxan-2-one
CID 16120045
(6R)-6-butyl-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxan-2-one
CID 102392244
1-(16-Ethyloc-tadecanoyl)-2,3-isopropylidene glycerol
CID 129724993

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxan-2-one?
The IUPAC name of (5R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxan-2-one (CID 134855131) is (5R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxan-2-one.
What is the SMILES notation for (5R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxan-2-one?
The canonical SMILES for (5R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxan-2-one is C[C@@H]1CCC(=O)O[C@@H]1[C@H]1COC(C)(C)O1.
What is the InChIKey of (5R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxan-2-one?
The InChIKey is UWLOLXABXBKSTD-MRTMQBJTSA-N. The full InChI is InChI=1S/C11H18O4/c1-7-4-5-9(12)14-10(7)8-6-13-11(2,3)15-8/h7-8,10H,4-6H2,1-3H3/t7-,8-,10+/m1/s1.
What are the key properties of (5R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxan-2-one?
(5R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxan-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 (5R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxan-2-one is sourced from PubChem (CID 134855131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).