5,5-dimethyl-2-(2-methylprop-2-enyl)-1,3-dioxane

C10H18O2 — CID 56635337

IUPAC5,5-dimethyl-2-(2-methylprop-2-enyl)-1,3-dioxane
SMILESC=C(C)CC1OCC(C)(C)CO1
InChIInChI=1S/C10H18O2/c1-8(2)5-9-11-6-10(3,4)7-12-9/h9H,1,5-7H2,2-4H3
InChIKeyRBFRXJPEDOWCAP-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.35
Rot. Bonds2

About 5,5-dimethyl-2-(2-methylprop-2-enyl)-1,3-dioxane

5,5-dimethyl-2-(2-methylprop-2-enyl)-1,3-dioxane (PubChem CID 56635337) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 5,5-dimethyl-2-(2-methylprop-2-enyl)-1,3-dioxane.

Molecular Properties

Compound Name5,5-dimethyl-2-(2-methylprop-2-enyl)-1,3-dioxane
PubChem CID56635337
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name5,5-dimethyl-2-(2-methylprop-2-enyl)-1,3-dioxane
SMILESC=C(C)CC1OCC(C)(C)CO1
InChIInChI=1S/C10H18O2/c1-8(2)5-9-11-6-10(3,4)7-12-9/h9H,1,5-7H2,2-4H3
InChIKeyRBFRXJPEDOWCAP-UHFFFAOYSA-N
XLogP2.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.35
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

CID 542747
CID 542747
CID 11971173
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CID 12290655
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CID 14685702
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CID 15032737
CID 15032737
CID 15305950
CID 15305950
CID 102092859
CID 102092859
CID 10866611
CID 10866611
CID 19785766
CID 19785766
CID 21589465
CID 21589465
CID 21589466
CID 21589466
CID 22902804
CID 22902804

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-(2-methylprop-2-enyl)-1,3-dioxane?
The IUPAC name of 5,5-dimethyl-2-(2-methylprop-2-enyl)-1,3-dioxane (CID 56635337) is 5,5-dimethyl-2-(2-methylprop-2-enyl)-1,3-dioxane.
What is the SMILES notation for 5,5-dimethyl-2-(2-methylprop-2-enyl)-1,3-dioxane?
The canonical SMILES for 5,5-dimethyl-2-(2-methylprop-2-enyl)-1,3-dioxane is C=C(C)CC1OCC(C)(C)CO1.
What is the InChIKey of 5,5-dimethyl-2-(2-methylprop-2-enyl)-1,3-dioxane?
The InChIKey is RBFRXJPEDOWCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-8(2)5-9-11-6-10(3,4)7-12-9/h9H,1,5-7H2,2-4H3.
What are the key properties of 5,5-dimethyl-2-(2-methylprop-2-enyl)-1,3-dioxane?
5,5-dimethyl-2-(2-methylprop-2-enyl)-1,3-dioxane has a molecular weight of 170.25 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-(2-methylprop-2-enyl)-1,3-dioxane is sourced from PubChem (CID 56635337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).