4-methyl-1-(3-methylbutan-2-yloxy)pentane

C11H24O — CID 123348302

IUPAC4-methyl-1-(3-methylbutan-2-yloxy)pentane
SMILESCC(C)CCCOC(C)C(C)C
InChIInChI=1S/C11H24O/c1-9(2)7-6-8-12-11(5)10(3)4/h9-11H,6-8H2,1-5H3
InChIKeyPAJQGMXBDZSVJQ-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.48
Rot. Bonds6

About 4-methyl-1-(3-methylbutan-2-yloxy)pentane

4-methyl-1-(3-methylbutan-2-yloxy)pentane (PubChem CID 123348302) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 4-methyl-1-(3-methylbutan-2-yloxy)pentane.

Molecular Properties

Compound Name4-methyl-1-(3-methylbutan-2-yloxy)pentane
PubChem CID123348302
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name4-methyl-1-(3-methylbutan-2-yloxy)pentane
SMILESCC(C)CCCOC(C)C(C)C
InChIInChI=1S/C11H24O/c1-9(2)7-6-8-12-11(5)10(3)4/h9-11H,6-8H2,1-5H3
InChIKeyPAJQGMXBDZSVJQ-UHFFFAOYSA-N
XLogP3.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-methyl-1-(3-methylbutan-2-yloxy)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

2-(4-methylpentoxy)pentan-3-amine
CID 43127709
3-(3-methylbutan-2-yloxy)propan-1-ol
CID 58556710
1-(17-methyloctadecoxy)ethanol
CID 87458732
5-(3-methylbutan-2-yloxy)pentan-1-ol
CID 58556716
2-(4-methylpentoxy)propane-1,3-diol
CID 141356566
4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane
CID 58371353
3-methyl-2-(4-methylpentoxy)-N-propan-2-ylbutan-1-amine
CID 62456225
6-(3-methylbutan-2-yloxy)hex-1-ene
CID 123623641
2-hydroxy-2-(4-methylpentoxy)acetic acid
CID 91442812
3-[chloro(4-methylpentoxy)methyl]pentane
CID 23124418
2,8-dimethylnonane;1,3-di(propan-2-yloxy)propane;methane;2-(2-propan-2-yloxyethoxy)propane
CID 157236499
1-(2,3-dimethylbutoxy)-4-methylpentane
CID 157134146

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3-methylbutan-2-yloxy)pentane?
The IUPAC name of 4-methyl-1-(3-methylbutan-2-yloxy)pentane (CID 123348302) is 4-methyl-1-(3-methylbutan-2-yloxy)pentane.
What is the SMILES notation for 4-methyl-1-(3-methylbutan-2-yloxy)pentane?
The canonical SMILES for 4-methyl-1-(3-methylbutan-2-yloxy)pentane is CC(C)CCCOC(C)C(C)C.
What is the InChIKey of 4-methyl-1-(3-methylbutan-2-yloxy)pentane?
The InChIKey is PAJQGMXBDZSVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O/c1-9(2)7-6-8-12-11(5)10(3)4/h9-11H,6-8H2,1-5H3.
What are the key properties of 4-methyl-1-(3-methylbutan-2-yloxy)pentane?
4-methyl-1-(3-methylbutan-2-yloxy)pentane has a molecular weight of 172.31 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3-methylbutan-2-yloxy)pentane is sourced from PubChem (CID 123348302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).