1,3-bis(2,2-dimethylpropoxy)-2,2-dimethylpropane

C15H32O2 — CID 10705489

IUPAC1,3-bis(2,2-dimethylpropoxy)-2,2-dimethylpropane
SMILESCC(C)(C)COCC(C)(C)COCC(C)(C)C
InChIInChI=1S/C15H32O2/c1-13(2,3)9-16-11-15(7,8)12-17-10-14(4,5)6/h9-12H2,1-8H3
InChIKeySIHJGECNEALVFZ-UHFFFAOYSA-N
MW244.42 g/mol
LogP4.14
Rot. Bonds6

About 1,3-bis(2,2-dimethylpropoxy)-2,2-dimethylpropane

1,3-bis(2,2-dimethylpropoxy)-2,2-dimethylpropane (PubChem CID 10705489) has the molecular formula C15H32O2 and a molecular weight of 244.42 g/mol. Its IUPAC name is 1,3-bis(2,2-dimethylpropoxy)-2,2-dimethylpropane.

Molecular Properties

Compound Name1,3-bis(2,2-dimethylpropoxy)-2,2-dimethylpropane
PubChem CID10705489
Molecular FormulaC15H32O2
Molecular Weight244.42 g/mol
Exact Mass244.24
IUPAC Name1,3-bis(2,2-dimethylpropoxy)-2,2-dimethylpropane
SMILESCC(C)(C)COCC(C)(C)COCC(C)(C)C
InChIInChI=1S/C15H32O2/c1-13(2,3)9-16-11-15(7,8)12-17-10-14(4,5)6/h9-12H2,1-8H3
InChIKeySIHJGECNEALVFZ-UHFFFAOYSA-N
XLogP4.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2,2-dimethylpropoxy)-2,2-dimethylpropane?
The IUPAC name of 1,3-bis(2,2-dimethylpropoxy)-2,2-dimethylpropane (CID 10705489) is 1,3-bis(2,2-dimethylpropoxy)-2,2-dimethylpropane.
What is the SMILES notation for 1,3-bis(2,2-dimethylpropoxy)-2,2-dimethylpropane?
The canonical SMILES for 1,3-bis(2,2-dimethylpropoxy)-2,2-dimethylpropane is CC(C)(C)COCC(C)(C)COCC(C)(C)C.
What is the InChIKey of 1,3-bis(2,2-dimethylpropoxy)-2,2-dimethylpropane?
The InChIKey is SIHJGECNEALVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O2/c1-13(2,3)9-16-11-15(7,8)12-17-10-14(4,5)6/h9-12H2,1-8H3.
What are the key properties of 1,3-bis(2,2-dimethylpropoxy)-2,2-dimethylpropane?
1,3-bis(2,2-dimethylpropoxy)-2,2-dimethylpropane has a molecular weight of 244.42 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2,2-dimethylpropoxy)-2,2-dimethylpropane is sourced from PubChem (CID 10705489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).