4,4-dimethyl-2-(2-methylprop-1-enyl)-5,6-di(propan-2-yl)-1,3-dioxane

C16H30O2 — CID 20577413

IUPAC4,4-dimethyl-2-(2-methylprop-1-enyl)-5,6-di(propan-2-yl)-1,3-dioxane
SMILESCC(C)=CC1OC(C(C)C)C(C(C)C)C(C)(C)O1
InChIInChI=1S/C16H30O2/c1-10(2)9-13-17-15(12(5)6)14(11(3)4)16(7,8)18-13/h9,11-15H,1-8H3
InChIKeyARTNNEDLIFMRFQ-UHFFFAOYSA-N
MW254.41 g/mol
LogP4.40
Rot. Bonds3

About 4,4-dimethyl-2-(2-methylprop-1-enyl)-5,6-di(propan-2-yl)-1,3-dioxane

4,4-dimethyl-2-(2-methylprop-1-enyl)-5,6-di(propan-2-yl)-1,3-dioxane (PubChem CID 20577413) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 4,4-dimethyl-2-(2-methylprop-1-enyl)-5,6-di(propan-2-yl)-1,3-dioxane.

Molecular Properties

Compound Name4,4-dimethyl-2-(2-methylprop-1-enyl)-5,6-di(propan-2-yl)-1,3-dioxane
PubChem CID20577413
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name4,4-dimethyl-2-(2-methylprop-1-enyl)-5,6-di(propan-2-yl)-1,3-dioxane
SMILESCC(C)=CC1OC(C(C)C)C(C(C)C)C(C)(C)O1
InChIInChI=1S/C16H30O2/c1-10(2)9-13-17-15(12(5)6)14(11(3)4)16(7,8)18-13/h9,11-15H,1-8H3
InChIKeyARTNNEDLIFMRFQ-UHFFFAOYSA-N
XLogP4.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4,6-Trimethyl-2-(1-propenyl)-1,3-dioxane
CID 5354376
5-Ethyl-2-prop-1-enyl-4-propyl-1,3-dioxane
CID 221667
4,4,6-Trimethyl-2-prop-1-enyl-1,3-dioxane
CID 95419
5-ethyl-2-[(E)-prop-1-enyl]-4-propyl-1,3-dioxane
CID 5354339
5-Ethyl-4,4,6-trimethyl-2-(2-methylprop-1-enyl)-1,3-dioxane
CID 164010171
4,4,6-trimethyl-2-[(Z)-prop-1-enyl]-1,3-dioxane
CID 21159519
(2S,4R,5R)-5-ethyl-2-[(E)-prop-1-enyl]-4-propyl-1,3-dioxane
CID 92219740
(2S,4S,5R)-5-ethyl-2-[(E)-prop-1-enyl]-4-propyl-1,3-dioxane
CID 92219741
(2S,4R,5R)-5-ethyl-2-[(Z)-prop-1-enyl]-4-propyl-1,3-dioxane
CID 94908993
(2S,4S,5R)-5-ethyl-2-[(Z)-prop-1-enyl]-4-propyl-1,3-dioxane
CID 94908994

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(2-methylprop-1-enyl)-5,6-di(propan-2-yl)-1,3-dioxane?
The IUPAC name of 4,4-dimethyl-2-(2-methylprop-1-enyl)-5,6-di(propan-2-yl)-1,3-dioxane (CID 20577413) is 4,4-dimethyl-2-(2-methylprop-1-enyl)-5,6-di(propan-2-yl)-1,3-dioxane.
What is the SMILES notation for 4,4-dimethyl-2-(2-methylprop-1-enyl)-5,6-di(propan-2-yl)-1,3-dioxane?
The canonical SMILES for 4,4-dimethyl-2-(2-methylprop-1-enyl)-5,6-di(propan-2-yl)-1,3-dioxane is CC(C)=CC1OC(C(C)C)C(C(C)C)C(C)(C)O1.
What is the InChIKey of 4,4-dimethyl-2-(2-methylprop-1-enyl)-5,6-di(propan-2-yl)-1,3-dioxane?
The InChIKey is ARTNNEDLIFMRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-10(2)9-13-17-15(12(5)6)14(11(3)4)16(7,8)18-13/h9,11-15H,1-8H3.
What are the key properties of 4,4-dimethyl-2-(2-methylprop-1-enyl)-5,6-di(propan-2-yl)-1,3-dioxane?
4,4-dimethyl-2-(2-methylprop-1-enyl)-5,6-di(propan-2-yl)-1,3-dioxane has a molecular weight of 254.41 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(2-methylprop-1-enyl)-5,6-di(propan-2-yl)-1,3-dioxane is sourced from PubChem (CID 20577413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).