(2R,6R)-2-tert-butyl-6-methyl-5-methylidene-1,3-dioxan-4-one

C10H16O3 — CID 14739241

IUPAC(2R,6R)-2-tert-butyl-6-methyl-5-methylidene-1,3-dioxan-4-one
SMILESC=C1C(=O)O[C@H](C(C)(C)C)O[C@@H]1C
InChIInChI=1S/C10H16O3/c1-6-7(2)12-9(10(3,4)5)13-8(6)11/h7,9H,1H2,2-5H3/t7-,9-/m1/s1
InChIKeyBMDYQXPONSQCAV-VXNVDRBHSA-N
MW184.23 g/mol
LogP1.88
Rot. Bonds

About (2R,6R)-2-tert-butyl-6-methyl-5-methylidene-1,3-dioxan-4-one

(2R,6R)-2-tert-butyl-6-methyl-5-methylidene-1,3-dioxan-4-one (PubChem CID 14739241) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (2R,6R)-2-tert-butyl-6-methyl-5-methylidene-1,3-dioxan-4-one.

Molecular Properties

Compound Name(2R,6R)-2-tert-butyl-6-methyl-5-methylidene-1,3-dioxan-4-one
PubChem CID14739241
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(2R,6R)-2-tert-butyl-6-methyl-5-methylidene-1,3-dioxan-4-one
SMILESC=C1C(=O)O[C@H](C(C)(C)C)O[C@@H]1C
InChIInChI=1S/C10H16O3/c1-6-7(2)12-9(10(3,4)5)13-8(6)11/h7,9H,1H2,2-5H3/t7-,9-/m1/s1
InChIKeyBMDYQXPONSQCAV-VXNVDRBHSA-N
XLogP1.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Methylidene-2,6-di(propan-2-yl)-1,3-dioxan-4-one
CID 11008905
(2R,6R)-2,6-diethyl-5-methylidene-1,3-dioxan-4-one
CID 11041140
2,6-Dimethyl-5-methylene-1,3-dioxan-4-one
CID 14660894
(2R,6R)-2,6-dimethyl-5-methylidene-1,3-dioxan-4-one
CID 10909670
[(2R,4S)-2-(acetyloxymethyl)-5-methylidene-6-oxo-1,3-dioxan-4-yl]methyl acetate
CID 10956235
Methyl 3-(1-methoxyprop-2-enoxy)-2-methylidenebutanoate
CID 11217883
(2R,6R)-5-methylidene-2,6-di(propan-2-yl)-1,3-dioxan-4-one
CID 15325822
(2R,6R)-5-methylidene-2,6-dipropyl-1,3-dioxan-4-one
CID 15328655
Ethyl 2-methylidene-3-[(2-methylpropan-2-yl)oxycarbonyloxy]butanoate
CID 44178474
(2R,5E,6R)-2-tert-butyl-6-methyl-5-prop-2-ynylidene-1,3-dioxan-4-one
CID 134897964
Methyl 2-methylidene-3-[(2-methylpropan-2-yl)oxycarbonyloxy]butanoate
CID 135083856
2-Tert-butyl-6-methyl-5-methylidene-1,3-dioxan-4-one
CID 546125

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2-tert-butyl-6-methyl-5-methylidene-1,3-dioxan-4-one?
The IUPAC name of (2R,6R)-2-tert-butyl-6-methyl-5-methylidene-1,3-dioxan-4-one (CID 14739241) is (2R,6R)-2-tert-butyl-6-methyl-5-methylidene-1,3-dioxan-4-one.
What is the SMILES notation for (2R,6R)-2-tert-butyl-6-methyl-5-methylidene-1,3-dioxan-4-one?
The canonical SMILES for (2R,6R)-2-tert-butyl-6-methyl-5-methylidene-1,3-dioxan-4-one is C=C1C(=O)O[C@H](C(C)(C)C)O[C@@H]1C.
What is the InChIKey of (2R,6R)-2-tert-butyl-6-methyl-5-methylidene-1,3-dioxan-4-one?
The InChIKey is BMDYQXPONSQCAV-VXNVDRBHSA-N. The full InChI is InChI=1S/C10H16O3/c1-6-7(2)12-9(10(3,4)5)13-8(6)11/h7,9H,1H2,2-5H3/t7-,9-/m1/s1.
What are the key properties of (2R,6R)-2-tert-butyl-6-methyl-5-methylidene-1,3-dioxan-4-one?
(2R,6R)-2-tert-butyl-6-methyl-5-methylidene-1,3-dioxan-4-one has a molecular weight of 184.23 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2-tert-butyl-6-methyl-5-methylidene-1,3-dioxan-4-one is sourced from PubChem (CID 14739241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).