3-methylbutan-1-ol;3-methylbutan-2-ol;4-methylpentan-1-ol

C16H38O3 — CID 159995957

IUPAC3-methylbutan-1-ol;3-methylbutan-2-ol;4-methylpentan-1-ol
SMILESCC(C)C(C)O.CC(C)CCCO.CC(C)CCO
InChIInChI=1S/C6H14O.2C5H12O/c1-6(2)4-3-5-7;1-5(2)3-4-6;1-4(2)5(3)6/h6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3;4-6H,1-3H3
InChIKeyOHNRYIJKMCZHKL-UHFFFAOYSA-N
MW278.48 g/mol
LogP3.46
Rot. Bonds6

About 3-methylbutan-1-ol;3-methylbutan-2-ol;4-methylpentan-1-ol

3-methylbutan-1-ol;3-methylbutan-2-ol;4-methylpentan-1-ol (PubChem CID 159995957) has the molecular formula C16H38O3 and a molecular weight of 278.48 g/mol. Its IUPAC name is 3-methylbutan-1-ol;3-methylbutan-2-ol;4-methylpentan-1-ol.

Molecular Properties

Compound Name3-methylbutan-1-ol;3-methylbutan-2-ol;4-methylpentan-1-ol
PubChem CID159995957
Molecular FormulaC16H38O3
Molecular Weight278.48 g/mol
Exact Mass278.28
IUPAC Name3-methylbutan-1-ol;3-methylbutan-2-ol;4-methylpentan-1-ol
SMILESCC(C)C(C)O.CC(C)CCCO.CC(C)CCO
InChIInChI=1S/C6H14O.2C5H12O/c1-6(2)4-3-5-7;1-5(2)3-4-6;1-4(2)5(3)6/h6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3;4-6H,1-3H3
InChIKeyOHNRYIJKMCZHKL-UHFFFAOYSA-N
XLogP3.46
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methylbutan-1-ol;9-methyldecan-1-ol;11-methyldodecan-1-ol;6-methylheptan-1-ol;5-methylhexan-1-ol;8-methylnonan-1-ol;7-methyloctan-1-ol;4-methylpentan-1-ol;12-methyltridecan-1-ol;10-methylundecan-1-ol
CID 161175838
4-methylpentan-1-ol;titanium;dihydrate
CID 175523375
calcium;hydride;3-methylbutan-1-ol
CID 174734037
sodium;hydride;3-methylbutan-1-ol
CID 173128134
sodium;hydride;8-methylnonan-1-ol
CID 175362951
CID 6335748
CID 6335748
tris(5-methylhexan-1-ol);titanium;dihydrate
CID 175523388
16-methylheptadecan-1-ol;titanium
CID 151630620
CID 172760633
CID 172760633
bis(5-methylhexan-1-ol);zirconium(4+);tetrahydroxide
CID 175523353
(4S,5S)-4-methylhexane-1,5-diol
CID 124511959
alumane;6-methylheptan-1-ol
CID 174615736

Frequently Asked Questions

What is the IUPAC name of 3-methylbutan-1-ol;3-methylbutan-2-ol;4-methylpentan-1-ol?
The IUPAC name of 3-methylbutan-1-ol;3-methylbutan-2-ol;4-methylpentan-1-ol (CID 159995957) is 3-methylbutan-1-ol;3-methylbutan-2-ol;4-methylpentan-1-ol.
What is the SMILES notation for 3-methylbutan-1-ol;3-methylbutan-2-ol;4-methylpentan-1-ol?
The canonical SMILES for 3-methylbutan-1-ol;3-methylbutan-2-ol;4-methylpentan-1-ol is CC(C)C(C)O.CC(C)CCCO.CC(C)CCO.
What is the InChIKey of 3-methylbutan-1-ol;3-methylbutan-2-ol;4-methylpentan-1-ol?
The InChIKey is OHNRYIJKMCZHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O.2C5H12O/c1-6(2)4-3-5-7;1-5(2)3-4-6;1-4(2)5(3)6/h6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3;4-6H,1-3H3.
What are the key properties of 3-methylbutan-1-ol;3-methylbutan-2-ol;4-methylpentan-1-ol?
3-methylbutan-1-ol;3-methylbutan-2-ol;4-methylpentan-1-ol has a molecular weight of 278.48 g/mol, XLogP of 3.46, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutan-1-ol;3-methylbutan-2-ol;4-methylpentan-1-ol is sourced from PubChem (CID 159995957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).