3-methyl-2-[2-(2-methylpropoxy)ethyl]butan-1-ol

C11H24O2 — CID 106459451

IUPAC3-methyl-2-[2-(2-methylpropoxy)ethyl]butan-1-ol
SMILESCC(C)COCCC(CO)C(C)C
InChIInChI=1S/C11H24O2/c1-9(2)8-13-6-5-11(7-12)10(3)4/h9-12H,5-8H2,1-4H3
InChIKeyOBNKERSQXDPDRB-UHFFFAOYSA-N
MW188.31 g/mol
LogP2.31
Rot. Bonds7

About 3-methyl-2-[2-(2-methylpropoxy)ethyl]butan-1-ol

3-methyl-2-[2-(2-methylpropoxy)ethyl]butan-1-ol (PubChem CID 106459451) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 3-methyl-2-[2-(2-methylpropoxy)ethyl]butan-1-ol.

Molecular Properties

Compound Name3-methyl-2-[2-(2-methylpropoxy)ethyl]butan-1-ol
PubChem CID106459451
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name3-methyl-2-[2-(2-methylpropoxy)ethyl]butan-1-ol
SMILESCC(C)COCCC(CO)C(C)C
InChIInChI=1S/C11H24O2/c1-9(2)8-13-6-5-11(7-12)10(3)4/h9-12H,5-8H2,1-4H3
InChIKeyOBNKERSQXDPDRB-UHFFFAOYSA-N
XLogP2.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(bromomethyl)-4-methyl-1-(2-methylpropoxy)pentane
CID 106459621
2-(hydroxymethyl)-4-(2-methylpropoxy)butanenitrile
CID 106457587
3-methyl-1-[2-(2-methylpropoxy)ethoxy]butane
CID 90326526
(2S)-6-methyl-2-propan-2-ylheptan-1-ol
CID 167319814
2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 6428225
3-methyl-1-(3-methylbutoxy)butane;4-methyl-1-(3-methylbutoxy)pentane;3-methyl-2-(4-methylpentoxymethyl)butan-1-ol;4-methyl-1-(4-methylpentoxy)pentane;4-methyl-1-(4-methylpentoxy)pentan-2-ol
CID 159002679
3-methyl-2-[2-(2-methylpropoxy)ethoxymethyl]butane-1-thiol
CID 106451137
3-methyl-1-[3-(2-methylpropoxy)propoxy]butane
CID 171414218
2-methyl-1-[3-(2-methylpropoxy)propoxy]propane
CID 22020669
ethanol;2-methyl-1-(2-methylpropoxy)propane
CID 23506368
N,3-diethyl-5-(2-methylpropoxy)pentan-2-amine
CID 106454434
2-fluoro-10-(2-methylpropoxy)decan-1-ol
CID 139609462

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[2-(2-methylpropoxy)ethyl]butan-1-ol?
The IUPAC name of 3-methyl-2-[2-(2-methylpropoxy)ethyl]butan-1-ol (CID 106459451) is 3-methyl-2-[2-(2-methylpropoxy)ethyl]butan-1-ol.
What is the SMILES notation for 3-methyl-2-[2-(2-methylpropoxy)ethyl]butan-1-ol?
The canonical SMILES for 3-methyl-2-[2-(2-methylpropoxy)ethyl]butan-1-ol is CC(C)COCCC(CO)C(C)C.
What is the InChIKey of 3-methyl-2-[2-(2-methylpropoxy)ethyl]butan-1-ol?
The InChIKey is OBNKERSQXDPDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-9(2)8-13-6-5-11(7-12)10(3)4/h9-12H,5-8H2,1-4H3.
What are the key properties of 3-methyl-2-[2-(2-methylpropoxy)ethyl]butan-1-ol?
3-methyl-2-[2-(2-methylpropoxy)ethyl]butan-1-ol has a molecular weight of 188.31 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[2-(2-methylpropoxy)ethyl]butan-1-ol is sourced from PubChem (CID 106459451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).