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

C11H24O2 — CID 19013944

IUPAC3-methyl-4-(2-methylpentoxy)butan-2-ol
SMILESCCCC(C)COCC(C)C(C)O
InChIInChI=1S/C11H24O2/c1-5-6-9(2)7-13-8-10(3)11(4)12/h9-12H,5-8H2,1-4H3
InChIKeySCSDXIFKQKLJGH-UHFFFAOYSA-N
MW188.31 g/mol
LogP2.46
Rot. Bonds7

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

3-methyl-4-(2-methylpentoxy)butan-2-ol (PubChem CID 19013944) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 3-methyl-4-(2-methylpentoxy)butan-2-ol.

Molecular Properties

Compound Name3-methyl-4-(2-methylpentoxy)butan-2-ol
PubChem CID19013944
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name3-methyl-4-(2-methylpentoxy)butan-2-ol
SMILESCCCC(C)COCC(C)C(C)O
InChIInChI=1S/C11H24O2/c1-5-6-9(2)7-13-8-10(3)11(4)12/h9-12H,5-8H2,1-4H3
InChIKeySCSDXIFKQKLJGH-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-3-methylhexan-2-ol
CID 88692749
1-(chloromethoxy)-2-methylpentane
CID 55302796
1-(2-methylpentoxy)ethanol
CID 173285010
3-methyl-4-(3-methylbutoxy)butan-2-ol
CID 90701438
2-amino-3-(2-methylpentoxy)propanoic acid
CID 103282764
2-(2-methylpentoxy)ethanamine
CID 62343431
3,6-dimethylnonan-4-ol
CID 56626033
trifluoro(2-methylpentoxymethyl)boranuide
CID 103285792
2-(2-methylpentoxy)ethoxysilane
CID 123408825
2-(methylamino)-3-(2-methylpentoxy)propanamide
CID 103284904
2-methylpentyl hypofluorite
CID 164530616
1-methoxy-2,10,24-trimethylheptacosane
CID 86172880

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-methylpentoxy)butan-2-ol?
The IUPAC name of 3-methyl-4-(2-methylpentoxy)butan-2-ol (CID 19013944) is 3-methyl-4-(2-methylpentoxy)butan-2-ol.
What is the SMILES notation for 3-methyl-4-(2-methylpentoxy)butan-2-ol?
The canonical SMILES for 3-methyl-4-(2-methylpentoxy)butan-2-ol is CCCC(C)COCC(C)C(C)O.
What is the InChIKey of 3-methyl-4-(2-methylpentoxy)butan-2-ol?
The InChIKey is SCSDXIFKQKLJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-5-6-9(2)7-13-8-10(3)11(4)12/h9-12H,5-8H2,1-4H3.
What are the key properties of 3-methyl-4-(2-methylpentoxy)butan-2-ol?
3-methyl-4-(2-methylpentoxy)butan-2-ol has a molecular weight of 188.31 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-methylpentoxy)butan-2-ol is sourced from PubChem (CID 19013944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).