2-methyl-2-(3-methylbut-3-enyl)-1,3-dioxolane

C9H16O2 — CID 130120416

IUPAC2-methyl-2-(3-methylbut-3-enyl)-1,3-dioxolane
SMILESC=C(C)CCC1(C)OCCO1
InChIInChI=1S/C9H16O2/c1-8(2)4-5-9(3)10-6-7-11-9/h1,4-7H2,2-3H3
InChIKeyAXUFIGIBVLOJAE-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.11
Rot. Bonds3

About 2-methyl-2-(3-methylbut-3-enyl)-1,3-dioxolane

2-methyl-2-(3-methylbut-3-enyl)-1,3-dioxolane (PubChem CID 130120416) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-methyl-2-(3-methylbut-3-enyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-methyl-2-(3-methylbut-3-enyl)-1,3-dioxolane
PubChem CID130120416
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-methyl-2-(3-methylbut-3-enyl)-1,3-dioxolane
SMILESC=C(C)CCC1(C)OCCO1
InChIInChI=1S/C9H16O2/c1-8(2)4-5-9(3)10-6-7-11-9/h1,4-7H2,2-3H3
InChIKeyAXUFIGIBVLOJAE-UHFFFAOYSA-N
XLogP2.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-methylbut-3-enyl)-1,3-dioxolane?
The IUPAC name of 2-methyl-2-(3-methylbut-3-enyl)-1,3-dioxolane (CID 130120416) is 2-methyl-2-(3-methylbut-3-enyl)-1,3-dioxolane.
What is the SMILES notation for 2-methyl-2-(3-methylbut-3-enyl)-1,3-dioxolane?
The canonical SMILES for 2-methyl-2-(3-methylbut-3-enyl)-1,3-dioxolane is C=C(C)CCC1(C)OCCO1.
What is the InChIKey of 2-methyl-2-(3-methylbut-3-enyl)-1,3-dioxolane?
The InChIKey is AXUFIGIBVLOJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-8(2)4-5-9(3)10-6-7-11-9/h1,4-7H2,2-3H3.
What are the key properties of 2-methyl-2-(3-methylbut-3-enyl)-1,3-dioxolane?
2-methyl-2-(3-methylbut-3-enyl)-1,3-dioxolane has a molecular weight of 156.22 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-methylbut-3-enyl)-1,3-dioxolane is sourced from PubChem (CID 130120416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).