2-methyl-1,1-bis(2-methylpropoxy)propane

C12H26O2 — CID 545267

IUPAC2-methyl-1,1-bis(2-methylpropoxy)propane
SMILESCC(C)COC(OCC(C)C)C(C)C
InChIInChI=1S/C12H26O2/c1-9(2)7-13-12(11(5)6)14-8-10(3)4/h9-12H,7-8H2,1-6H3
InChIKeyPYLBPIIOEGWQSX-UHFFFAOYSA-N
MW202.34 g/mol
LogP3.31
Rot. Bonds7

About 2-methyl-1,1-bis(2-methylpropoxy)propane

2-methyl-1,1-bis(2-methylpropoxy)propane (PubChem CID 545267) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 2-methyl-1,1-bis(2-methylpropoxy)propane.

Molecular Properties

Compound Name2-methyl-1,1-bis(2-methylpropoxy)propane
PubChem CID545267
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name2-methyl-1,1-bis(2-methylpropoxy)propane
SMILESCC(C)COC(OCC(C)C)C(C)C
InChIInChI=1S/C12H26O2/c1-9(2)7-13-12(11(5)6)14-8-10(3)4/h9-12H,7-8H2,1-6H3
InChIKeyPYLBPIIOEGWQSX-UHFFFAOYSA-N
XLogP3.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,1-bis(2-methylpropoxy)propane?
The IUPAC name of 2-methyl-1,1-bis(2-methylpropoxy)propane (CID 545267) is 2-methyl-1,1-bis(2-methylpropoxy)propane.
What is the SMILES notation for 2-methyl-1,1-bis(2-methylpropoxy)propane?
The canonical SMILES for 2-methyl-1,1-bis(2-methylpropoxy)propane is CC(C)COC(OCC(C)C)C(C)C.
What is the InChIKey of 2-methyl-1,1-bis(2-methylpropoxy)propane?
The InChIKey is PYLBPIIOEGWQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-9(2)7-13-12(11(5)6)14-8-10(3)4/h9-12H,7-8H2,1-6H3.
What are the key properties of 2-methyl-1,1-bis(2-methylpropoxy)propane?
2-methyl-1,1-bis(2-methylpropoxy)propane has a molecular weight of 202.34 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,1-bis(2-methylpropoxy)propane is sourced from PubChem (CID 545267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).