3-methyl-4-(3-methylbutoxy)butan-2-ol

C10H22O2 — CID 90701438

IUPAC3-methyl-4-(3-methylbutoxy)butan-2-ol
SMILESCC(C)CCOCC(C)C(C)O
InChIInChI=1S/C10H22O2/c1-8(2)5-6-12-7-9(3)10(4)11/h8-11H,5-7H2,1-4H3
InChIKeyYFKJGYJBRNWFNT-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.07
Rot. Bonds6

About 3-methyl-4-(3-methylbutoxy)butan-2-ol

3-methyl-4-(3-methylbutoxy)butan-2-ol (PubChem CID 90701438) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 3-methyl-4-(3-methylbutoxy)butan-2-ol.

Molecular Properties

Compound Name3-methyl-4-(3-methylbutoxy)butan-2-ol
PubChem CID90701438
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name3-methyl-4-(3-methylbutoxy)butan-2-ol
SMILESCC(C)CCOCC(C)C(C)O
InChIInChI=1S/C10H22O2/c1-8(2)5-6-12-7-9(3)10(4)11/h8-11H,5-7H2,1-4H3
InChIKeyYFKJGYJBRNWFNT-UHFFFAOYSA-N
XLogP2.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methyl-4-(3-methylbutoxy)butan-2-ol 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

3-methyl-1-[2-(2-methylpropoxy)ethoxy]butane
CID 90326526
3-methyl-1-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
CID 118631027
gallane;3-methyl-1-(3-methylbutoxy)butane
CID 174967258
(2R)-1-[2-[[(2R)-2-hydroxy-3-(3-methylbutoxy)propyl]amino]ethylamino]-3-(3-methylbutoxy)propan-2-ol
CID 92759286
3-methyl-1-[3-(2-methylpropoxy)propoxy]butane
CID 171414218
6-methyl-1-(3-methylbutoxy)heptan-3-ol
CID 115001714
3-methyl-4-(2-methylpentoxy)butan-2-ol
CID 19013944
3-methyl-1-(3-methylbutoxy)butane;molecular iodine
CID 131712143
1-(2,3-dimethylbutoxy)-4-methylpentane
CID 157134146
5-(2-hydroxyethoxy)-3-methylpentan-2-ol
CID 79423755
1-(tert-butylamino)-3-(3-methylbutoxy)propan-2-ol
CID 110181624
3-(2-hydroxypropoxy)propane-1,1-diol
CID 88599165

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(3-methylbutoxy)butan-2-ol?
The IUPAC name of 3-methyl-4-(3-methylbutoxy)butan-2-ol (CID 90701438) is 3-methyl-4-(3-methylbutoxy)butan-2-ol.
What is the SMILES notation for 3-methyl-4-(3-methylbutoxy)butan-2-ol?
The canonical SMILES for 3-methyl-4-(3-methylbutoxy)butan-2-ol is CC(C)CCOCC(C)C(C)O.
What is the InChIKey of 3-methyl-4-(3-methylbutoxy)butan-2-ol?
The InChIKey is YFKJGYJBRNWFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-8(2)5-6-12-7-9(3)10(4)11/h8-11H,5-7H2,1-4H3.
What are the key properties of 3-methyl-4-(3-methylbutoxy)butan-2-ol?
3-methyl-4-(3-methylbutoxy)butan-2-ol has a molecular weight of 174.28 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(3-methylbutoxy)butan-2-ol is sourced from PubChem (CID 90701438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).