4-methyl-2,5-dimethylidene-4-[2-[(2-methylpropan-2-yl)oxy]butyl]-1,3-dioxolane

C14H24O3 — CID 134378901

IUPAC4-methyl-2,5-dimethylidene-4-[2-[(2-methylpropan-2-yl)oxy]butyl]-1,3-dioxolane
SMILESC=C1OC(=C)C(C)(CC(CC)OC(C)(C)C)O1
InChIInChI=1S/C14H24O3/c1-8-12(17-13(4,5)6)9-14(7)10(2)15-11(3)16-14/h12H,2-3,8-9H2,1,4-7H3
InChIKeyNOMBOFOGXDADKJ-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.76
Rot. Bonds4

About 4-methyl-2,5-dimethylidene-4-[2-[(2-methylpropan-2-yl)oxy]butyl]-1,3-dioxolane

4-methyl-2,5-dimethylidene-4-[2-[(2-methylpropan-2-yl)oxy]butyl]-1,3-dioxolane (PubChem CID 134378901) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 4-methyl-2,5-dimethylidene-4-[2-[(2-methylpropan-2-yl)oxy]butyl]-1,3-dioxolane.

Molecular Properties

Compound Name4-methyl-2,5-dimethylidene-4-[2-[(2-methylpropan-2-yl)oxy]butyl]-1,3-dioxolane
PubChem CID134378901
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name4-methyl-2,5-dimethylidene-4-[2-[(2-methylpropan-2-yl)oxy]butyl]-1,3-dioxolane
SMILESC=C1OC(=C)C(C)(CC(CC)OC(C)(C)C)O1
InChIInChI=1S/C14H24O3/c1-8-12(17-13(4,5)6)9-14(7)10(2)15-11(3)16-14/h12H,2-3,8-9H2,1,4-7H3
InChIKeyNOMBOFOGXDADKJ-UHFFFAOYSA-N
XLogP3.76
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,5-dimethylidene-4-[2-[(2-methylpropan-2-yl)oxy]butyl]-1,3-dioxolane?
The IUPAC name of 4-methyl-2,5-dimethylidene-4-[2-[(2-methylpropan-2-yl)oxy]butyl]-1,3-dioxolane (CID 134378901) is 4-methyl-2,5-dimethylidene-4-[2-[(2-methylpropan-2-yl)oxy]butyl]-1,3-dioxolane.
What is the SMILES notation for 4-methyl-2,5-dimethylidene-4-[2-[(2-methylpropan-2-yl)oxy]butyl]-1,3-dioxolane?
The canonical SMILES for 4-methyl-2,5-dimethylidene-4-[2-[(2-methylpropan-2-yl)oxy]butyl]-1,3-dioxolane is C=C1OC(=C)C(C)(CC(CC)OC(C)(C)C)O1.
What is the InChIKey of 4-methyl-2,5-dimethylidene-4-[2-[(2-methylpropan-2-yl)oxy]butyl]-1,3-dioxolane?
The InChIKey is NOMBOFOGXDADKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-8-12(17-13(4,5)6)9-14(7)10(2)15-11(3)16-14/h12H,2-3,8-9H2,1,4-7H3.
What are the key properties of 4-methyl-2,5-dimethylidene-4-[2-[(2-methylpropan-2-yl)oxy]butyl]-1,3-dioxolane?
4-methyl-2,5-dimethylidene-4-[2-[(2-methylpropan-2-yl)oxy]butyl]-1,3-dioxolane has a molecular weight of 240.34 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,5-dimethylidene-4-[2-[(2-methylpropan-2-yl)oxy]butyl]-1,3-dioxolane is sourced from PubChem (CID 134378901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).