3-methyl-1,1-bis(3-methylbutoxy)butane

C15H32O2 — CID 57347944

IUPAC3-methyl-1,1-bis(3-methylbutoxy)butane
SMILESCC(C)CCOC(CC(C)C)OCCC(C)C
InChIInChI=1S/C15H32O2/c1-12(2)7-9-16-15(11-14(5)6)17-10-8-13(3)4/h12-15H,7-11H2,1-6H3
InChIKeyJZZYTJHSNUMURA-UHFFFAOYSA-N
MW244.42 g/mol
LogP4.48
Rot. Bonds10

About 3-methyl-1,1-bis(3-methylbutoxy)butane

3-methyl-1,1-bis(3-methylbutoxy)butane (PubChem CID 57347944) has the molecular formula C15H32O2 and a molecular weight of 244.42 g/mol. Its IUPAC name is 3-methyl-1,1-bis(3-methylbutoxy)butane.

Molecular Properties

Compound Name3-methyl-1,1-bis(3-methylbutoxy)butane
PubChem CID57347944
Molecular FormulaC15H32O2
Molecular Weight244.42 g/mol
Exact Mass244.24
IUPAC Name3-methyl-1,1-bis(3-methylbutoxy)butane
SMILESCC(C)CCOC(CC(C)C)OCCC(C)C
InChIInChI=1S/C15H32O2/c1-12(2)7-9-16-15(11-14(5)6)17-10-8-13(3)4/h12-15H,7-11H2,1-6H3
InChIKeyJZZYTJHSNUMURA-UHFFFAOYSA-N
XLogP4.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 54.48
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 3-methyl-1,1-bis(3-methylbutoxy)butane?
The IUPAC name of 3-methyl-1,1-bis(3-methylbutoxy)butane (CID 57347944) is 3-methyl-1,1-bis(3-methylbutoxy)butane.
What is the SMILES notation for 3-methyl-1,1-bis(3-methylbutoxy)butane?
The canonical SMILES for 3-methyl-1,1-bis(3-methylbutoxy)butane is CC(C)CCOC(CC(C)C)OCCC(C)C.
What is the InChIKey of 3-methyl-1,1-bis(3-methylbutoxy)butane?
The InChIKey is JZZYTJHSNUMURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O2/c1-12(2)7-9-16-15(11-14(5)6)17-10-8-13(3)4/h12-15H,7-11H2,1-6H3.
What are the key properties of 3-methyl-1,1-bis(3-methylbutoxy)butane?
3-methyl-1,1-bis(3-methylbutoxy)butane has a molecular weight of 244.42 g/mol, XLogP of 4.48, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,1-bis(3-methylbutoxy)butane is sourced from PubChem (CID 57347944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).