2,2-dimethyl-1,3-bis(2-methylprop-1-enoxy)propane

C13H24O2 — CID 87658329

IUPAC2,2-dimethyl-1,3-bis(2-methylprop-1-enoxy)propane
SMILESCC(C)=COCC(C)(C)COC=C(C)C
InChIInChI=1S/C13H24O2/c1-11(2)7-14-9-13(5,6)10-15-8-12(3)4/h7-8H,9-10H2,1-6H3
InChIKeyVLMBMVVXTPTVLS-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.89
Rot. Bonds6

About 2,2-dimethyl-1,3-bis(2-methylprop-1-enoxy)propane

2,2-dimethyl-1,3-bis(2-methylprop-1-enoxy)propane (PubChem CID 87658329) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2,2-dimethyl-1,3-bis(2-methylprop-1-enoxy)propane.

Molecular Properties

Compound Name2,2-dimethyl-1,3-bis(2-methylprop-1-enoxy)propane
PubChem CID87658329
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2,2-dimethyl-1,3-bis(2-methylprop-1-enoxy)propane
SMILESCC(C)=COCC(C)(C)COC=C(C)C
InChIInChI=1S/C13H24O2/c1-11(2)7-14-9-13(5,6)10-15-8-12(3)4/h7-8H,9-10H2,1-6H3
InChIKeyVLMBMVVXTPTVLS-UHFFFAOYSA-N
XLogP3.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

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CID 20447645
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CID 22234791
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CID 22234825
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CID 23556500
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CID 54499924
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CID 57153321
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CID 57853022
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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,3-bis(2-methylprop-1-enoxy)propane?
The IUPAC name of 2,2-dimethyl-1,3-bis(2-methylprop-1-enoxy)propane (CID 87658329) is 2,2-dimethyl-1,3-bis(2-methylprop-1-enoxy)propane.
What is the SMILES notation for 2,2-dimethyl-1,3-bis(2-methylprop-1-enoxy)propane?
The canonical SMILES for 2,2-dimethyl-1,3-bis(2-methylprop-1-enoxy)propane is CC(C)=COCC(C)(C)COC=C(C)C.
What is the InChIKey of 2,2-dimethyl-1,3-bis(2-methylprop-1-enoxy)propane?
The InChIKey is VLMBMVVXTPTVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-11(2)7-14-9-13(5,6)10-15-8-12(3)4/h7-8H,9-10H2,1-6H3.
What are the key properties of 2,2-dimethyl-1,3-bis(2-methylprop-1-enoxy)propane?
2,2-dimethyl-1,3-bis(2-methylprop-1-enoxy)propane has a molecular weight of 212.33 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,3-bis(2-methylprop-1-enoxy)propane is sourced from PubChem (CID 87658329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).