(4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyl-3-methylideneoxolan-2-one

C11H16O4 — CID 88981683

IUPAC(4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyl-3-methylideneoxolan-2-one
SMILESC=C1C(=O)OC([C@H]2COC(C)(C)O2)[C@@H]1C
InChIInChI=1S/C11H16O4/c1-6-7(2)10(12)14-9(6)8-5-13-11(3,4)15-8/h6,8-9H,2,5H2,1,3-4H3/t6-,8-,9?/m1/s1
InChIKeyHWXFIEZWLMQTHZ-GLXOAHRXSA-N
MW212.24 g/mol
LogP1.26
Rot. Bonds1

About (4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyl-3-methylideneoxolan-2-one

(4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyl-3-methylideneoxolan-2-one (PubChem CID 88981683) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is (4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyl-3-methylideneoxolan-2-one.

Molecular Properties

Compound Name(4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyl-3-methylideneoxolan-2-one
PubChem CID88981683
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name(4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyl-3-methylideneoxolan-2-one
SMILESC=C1C(=O)OC([C@H]2COC(C)(C)O2)[C@@H]1C
InChIInChI=1S/C11H16O4/c1-6-7(2)10(12)14-9(6)8-5-13-11(3,4)15-8/h6,8-9H,2,5H2,1,3-4H3/t6-,8-,9?/m1/s1
InChIKeyHWXFIEZWLMQTHZ-GLXOAHRXSA-N
XLogP1.26
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyl-3-methylideneoxolan-2-one?
The IUPAC name of (4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyl-3-methylideneoxolan-2-one (CID 88981683) is (4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyl-3-methylideneoxolan-2-one.
What is the SMILES notation for (4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyl-3-methylideneoxolan-2-one?
The canonical SMILES for (4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyl-3-methylideneoxolan-2-one is C=C1C(=O)OC([C@H]2COC(C)(C)O2)[C@@H]1C.
What is the InChIKey of (4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyl-3-methylideneoxolan-2-one?
The InChIKey is HWXFIEZWLMQTHZ-GLXOAHRXSA-N. The full InChI is InChI=1S/C11H16O4/c1-6-7(2)10(12)14-9(6)8-5-13-11(3,4)15-8/h6,8-9H,2,5H2,1,3-4H3/t6-,8-,9?/m1/s1.
What are the key properties of (4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyl-3-methylideneoxolan-2-one?
(4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyl-3-methylideneoxolan-2-one has a molecular weight of 212.24 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyl-3-methylideneoxolan-2-one is sourced from PubChem (CID 88981683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).