3-methyl-1-(2-methylbutoxy)pentane

C11H24O — CID 20793775

IUPAC3-methyl-1-(2-methylbutoxy)pentane
SMILESCCC(C)CCOCC(C)CC
InChIInChI=1S/C11H24O/c1-5-10(3)7-8-12-9-11(4)6-2/h10-11H,5-9H2,1-4H3
InChIKeySTLQDUDZDVECBG-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.49
Rot. Bonds7

About 3-methyl-1-(2-methylbutoxy)pentane

3-methyl-1-(2-methylbutoxy)pentane (PubChem CID 20793775) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 3-methyl-1-(2-methylbutoxy)pentane.

Molecular Properties

Compound Name3-methyl-1-(2-methylbutoxy)pentane
PubChem CID20793775
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name3-methyl-1-(2-methylbutoxy)pentane
SMILESCCC(C)CCOCC(C)CC
InChIInChI=1S/C11H24O/c1-5-10(3)7-8-12-9-11(4)6-2/h10-11H,5-9H2,1-4H3
InChIKeySTLQDUDZDVECBG-UHFFFAOYSA-N
XLogP3.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-methyl-1-(2-methylbutoxy)pentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Diisopentyl ether
CID 10989
Tetrahydro-4-methyl-2H-pyran
CID 78446
Hexane, 1-(hexyloxy)-3-methyl-
CID 537316
Hexane, 1-(hexyloxy)-4-methyl-
CID 545916
3-(Butoxymethyl)heptane
CID 522064
1-Butoxy-3-methylbutane
CID 545578
3-Ethyltetrahydrofuran
CID 10996972
Bis(2-methylbutyl) ether
CID 4584641
2-Methylpropyl pentyl ether
CID 18988496
Hexyl 2-methylpropyl ether
CID 19911674
Iso-pentoxypentane
CID 20082127
3-Methylbutyl propyl ether
CID 21894256

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylbutoxy)pentane?
The IUPAC name of 3-methyl-1-(2-methylbutoxy)pentane (CID 20793775) is 3-methyl-1-(2-methylbutoxy)pentane.
What is the SMILES notation for 3-methyl-1-(2-methylbutoxy)pentane?
The canonical SMILES for 3-methyl-1-(2-methylbutoxy)pentane is CCC(C)CCOCC(C)CC.
What is the InChIKey of 3-methyl-1-(2-methylbutoxy)pentane?
The InChIKey is STLQDUDZDVECBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O/c1-5-10(3)7-8-12-9-11(4)6-2/h10-11H,5-9H2,1-4H3.
What are the key properties of 3-methyl-1-(2-methylbutoxy)pentane?
3-methyl-1-(2-methylbutoxy)pentane has a molecular weight of 172.31 g/mol, XLogP of 3.49, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylbutoxy)pentane is sourced from PubChem (CID 20793775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).