(2R,6R)-5-methylidene-2,6-dipropyl-1,3-dioxan-4-one

C11H18O3 — CID 15328655

IUPAC(2R,6R)-5-methylidene-2,6-dipropyl-1,3-dioxan-4-one
SMILESC=C1C(=O)O[C@H](CCC)O[C@@H]1CCC
InChIInChI=1S/C11H18O3/c1-4-6-9-8(3)11(12)14-10(13-9)7-5-2/h9-10H,3-7H2,1-2H3/t9-,10-/m1/s1
InChIKeyDLEFLFHOENVQPI-NXEZZACHSA-N
MW198.26 g/mol
LogP2.41
Rot. Bonds4

About (2R,6R)-5-methylidene-2,6-dipropyl-1,3-dioxan-4-one

(2R,6R)-5-methylidene-2,6-dipropyl-1,3-dioxan-4-one (PubChem CID 15328655) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is (2R,6R)-5-methylidene-2,6-dipropyl-1,3-dioxan-4-one.

Molecular Properties

Compound Name(2R,6R)-5-methylidene-2,6-dipropyl-1,3-dioxan-4-one
PubChem CID15328655
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name(2R,6R)-5-methylidene-2,6-dipropyl-1,3-dioxan-4-one
SMILESC=C1C(=O)O[C@H](CCC)O[C@@H]1CCC
InChIInChI=1S/C11H18O3/c1-4-6-9-8(3)11(12)14-10(13-9)7-5-2/h9-10H,3-7H2,1-2H3/t9-,10-/m1/s1
InChIKeyDLEFLFHOENVQPI-NXEZZACHSA-N
XLogP2.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R,6R)-5-methylidene-2,6-dipropyl-1,3-dioxan-4-one with MolForge

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Launch Full Analysis

Related Compounds

3-Acetoxy-2-methylenehexanoic acid methyl ester
CID 10330402
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
(2S,6S)-5-methylidene-2,6-bis(2-methylpropyl)-1,3-dioxan-4-one
CID 11790905
(2R,6R)-5-methylidene-2,6-di(propan-2-yl)-1,3-dioxan-4-one
CID 15325822
(2R,6R)-5-methylidene-2,6-bis(2-methylpropyl)-1,3-dioxan-4-one
CID 15328658
5-Methylidene-2,6-bis(2-methylpropyl)-1,3-dioxan-4-one
CID 73102800
2-Tert-butyl-6-methyl-5-methylidene-1,3-dioxan-4-one
CID 546125
2-tert-butyl-7,7a-dihydro-6H-cyclopenta[d][1,3]dioxin-4-one
CID 548770
1-O-ethyl 3-O-(2-methoxycarbonylhex-1-en-3-yl) propanedioate
CID 10084610
Methyl 3-hydroxy-2-methylidene-6-(oxan-2-yloxy)hexanoate
CID 13508251
1,3-Dioxan-4-one, 2-(1,1-dimethylethyl)-6-methyl-5-methylene-, cis-(+/-)-
CID 14739241

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-5-methylidene-2,6-dipropyl-1,3-dioxan-4-one?
The IUPAC name of (2R,6R)-5-methylidene-2,6-dipropyl-1,3-dioxan-4-one (CID 15328655) is (2R,6R)-5-methylidene-2,6-dipropyl-1,3-dioxan-4-one.
What is the SMILES notation for (2R,6R)-5-methylidene-2,6-dipropyl-1,3-dioxan-4-one?
The canonical SMILES for (2R,6R)-5-methylidene-2,6-dipropyl-1,3-dioxan-4-one is C=C1C(=O)O[C@H](CCC)O[C@@H]1CCC.
What is the InChIKey of (2R,6R)-5-methylidene-2,6-dipropyl-1,3-dioxan-4-one?
The InChIKey is DLEFLFHOENVQPI-NXEZZACHSA-N. The full InChI is InChI=1S/C11H18O3/c1-4-6-9-8(3)11(12)14-10(13-9)7-5-2/h9-10H,3-7H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of (2R,6R)-5-methylidene-2,6-dipropyl-1,3-dioxan-4-one?
(2R,6R)-5-methylidene-2,6-dipropyl-1,3-dioxan-4-one has a molecular weight of 198.26 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-5-methylidene-2,6-dipropyl-1,3-dioxan-4-one is sourced from PubChem (CID 15328655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).