3-methyl-3-(2-methylpropoxy)butan-1-ol;1-propoxypropane

C15H34O3 — CID 87248461

IUPAC3-methyl-3-(2-methylpropoxy)butan-1-ol;1-propoxypropane
SMILESCC(C)COC(C)(C)CCO.CCCOCCC
InChIInChI=1S/C9H20O2.C6H14O/c1-8(2)7-11-9(3,4)5-6-10;1-3-5-7-6-4-2/h8,10H,5-7H2,1-4H3;3-6H2,1-2H3
InChIKeyBFKUWTHHHJACSX-UHFFFAOYSA-N
MW262.43 g/mol
LogP3.64
Rot. Bonds9

About 3-methyl-3-(2-methylpropoxy)butan-1-ol;1-propoxypropane

3-methyl-3-(2-methylpropoxy)butan-1-ol;1-propoxypropane (PubChem CID 87248461) has the molecular formula C15H34O3 and a molecular weight of 262.43 g/mol. Its IUPAC name is 3-methyl-3-(2-methylpropoxy)butan-1-ol;1-propoxypropane.

Molecular Properties

Compound Name3-methyl-3-(2-methylpropoxy)butan-1-ol;1-propoxypropane
PubChem CID87248461
Molecular FormulaC15H34O3
Molecular Weight262.43 g/mol
Exact Mass262.25
IUPAC Name3-methyl-3-(2-methylpropoxy)butan-1-ol;1-propoxypropane
SMILESCC(C)COC(C)(C)CCO.CCCOCCC
InChIInChI=1S/C9H20O2.C6H14O/c1-8(2)7-11-9(3,4)5-6-10;1-3-5-7-6-4-2/h8,10H,5-7H2,1-4H3;3-6H2,1-2H3
InChIKeyBFKUWTHHHJACSX-UHFFFAOYSA-N
XLogP3.64
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.43
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-3-(2-methylpropoxy)-1-propoxybutane
CID 87248462
2-methyl-2-(2-methylpropoxy)-1-(2-propoxyethoxy)propane
CID 155206802
3-[3-[2-hydroxy-3-[4-(4-hydroxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxypropoxy]-3-methylbutoxy]-3-methylbutan-1-ol
CID 121265139
2-methyl-2-[2-(2-methylpropoxy)ethyl]pentan-1-ol
CID 106459431
1-ethoxy-2-methylpropane;1-propoxypropane
CID 174535854
2-(2-methylpropyl)-2-(2-propoxyethyl)propane-1,3-diol
CID 106459753
calcium;hydride;2-propoxyethanol
CID 174734380
ethane-1,2-diol;methane;1-propoxypropane
CID 19065615
2,4-dimethyl-2-(propoxymethyl)pentan-1-ol
CID 91196537
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 20613004
bis(propan-1-ol);bis(2-propoxyethanol)
CID 157411921
4-(3-methyl-3-pentoxybutoxy)butan-1-ol
CID 166741277

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(2-methylpropoxy)butan-1-ol;1-propoxypropane?
The IUPAC name of 3-methyl-3-(2-methylpropoxy)butan-1-ol;1-propoxypropane (CID 87248461) is 3-methyl-3-(2-methylpropoxy)butan-1-ol;1-propoxypropane.
What is the SMILES notation for 3-methyl-3-(2-methylpropoxy)butan-1-ol;1-propoxypropane?
The canonical SMILES for 3-methyl-3-(2-methylpropoxy)butan-1-ol;1-propoxypropane is CC(C)COC(C)(C)CCO.CCCOCCC.
What is the InChIKey of 3-methyl-3-(2-methylpropoxy)butan-1-ol;1-propoxypropane?
The InChIKey is BFKUWTHHHJACSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2.C6H14O/c1-8(2)7-11-9(3,4)5-6-10;1-3-5-7-6-4-2/h8,10H,5-7H2,1-4H3;3-6H2,1-2H3.
What are the key properties of 3-methyl-3-(2-methylpropoxy)butan-1-ol;1-propoxypropane?
3-methyl-3-(2-methylpropoxy)butan-1-ol;1-propoxypropane has a molecular weight of 262.43 g/mol, XLogP of 3.64, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(2-methylpropoxy)butan-1-ol;1-propoxypropane is sourced from PubChem (CID 87248461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).