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

C12H22O2 — CID 87658921

IUPAC2-methyl-1,3-bis(2-methylprop-1-enoxy)propane
SMILESCC(C)=COCC(C)COC=C(C)C
InChIInChI=1S/C12H22O2/c1-10(2)6-13-8-12(5)9-14-7-11(3)4/h6-7,12H,8-9H2,1-5H3
InChIKeyYQKKQUSLOJCNRK-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.50
Rot. Bonds6

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

2-methyl-1,3-bis(2-methylprop-1-enoxy)propane (PubChem CID 87658921) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-methyl-1,3-bis(2-methylprop-1-enoxy)propane.

Molecular Properties

Compound Name2-methyl-1,3-bis(2-methylprop-1-enoxy)propane
PubChem CID87658921
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2-methyl-1,3-bis(2-methylprop-1-enoxy)propane
SMILESCC(C)=COCC(C)COC=C(C)C
InChIInChI=1S/C12H22O2/c1-10(2)6-13-8-12(5)9-14-7-11(3)4/h6-7,12H,8-9H2,1-5H3
InChIKeyYQKKQUSLOJCNRK-UHFFFAOYSA-N
XLogP3.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.50
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-bis(2-methylprop-1-enoxy)propane?
The IUPAC name of 2-methyl-1,3-bis(2-methylprop-1-enoxy)propane (CID 87658921) is 2-methyl-1,3-bis(2-methylprop-1-enoxy)propane.
What is the SMILES notation for 2-methyl-1,3-bis(2-methylprop-1-enoxy)propane?
The canonical SMILES for 2-methyl-1,3-bis(2-methylprop-1-enoxy)propane is CC(C)=COCC(C)COC=C(C)C.
What is the InChIKey of 2-methyl-1,3-bis(2-methylprop-1-enoxy)propane?
The InChIKey is YQKKQUSLOJCNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-10(2)6-13-8-12(5)9-14-7-11(3)4/h6-7,12H,8-9H2,1-5H3.
What are the key properties of 2-methyl-1,3-bis(2-methylprop-1-enoxy)propane?
2-methyl-1,3-bis(2-methylprop-1-enoxy)propane has a molecular weight of 198.31 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-bis(2-methylprop-1-enoxy)propane is sourced from PubChem (CID 87658921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).