2-methylbutane;3-methylbutan-2-ol

C10H24O — CID 87553210

IUPAC2-methylbutane;3-methylbutan-2-ol
SMILESCC(C)C(C)O.CCC(C)C
InChIInChI=1S/C5H12O.C5H12/c1-4(2)5(3)6;1-4-5(2)3/h4-6H,1-3H3;5H,4H2,1-3H3
InChIKeyYQGYVZQQNIUQFS-UHFFFAOYSA-N
MW160.30 g/mol
LogP3.08
Rot. Bonds2

About 2-methylbutane;3-methylbutan-2-ol

2-methylbutane;3-methylbutan-2-ol (PubChem CID 87553210) has the molecular formula C10H24O and a molecular weight of 160.30 g/mol. Its IUPAC name is 2-methylbutane;3-methylbutan-2-ol.

Molecular Properties

Compound Name2-methylbutane;3-methylbutan-2-ol
PubChem CID87553210
Molecular FormulaC10H24O
Molecular Weight160.30 g/mol
Exact Mass160.18
IUPAC Name2-methylbutane;3-methylbutan-2-ol
SMILESCC(C)C(C)O.CCC(C)C
InChIInChI=1S/C5H12O.C5H12/c1-4(2)5(3)6;1-4-5(2)3/h4-6H,1-3H3;5H,4H2,1-3H3
InChIKeyYQGYVZQQNIUQFS-UHFFFAOYSA-N
XLogP3.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.30
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylbutane;3-methylbutan-2-ol?
The IUPAC name of 2-methylbutane;3-methylbutan-2-ol (CID 87553210) is 2-methylbutane;3-methylbutan-2-ol.
What is the SMILES notation for 2-methylbutane;3-methylbutan-2-ol?
The canonical SMILES for 2-methylbutane;3-methylbutan-2-ol is CC(C)C(C)O.CCC(C)C.
What is the InChIKey of 2-methylbutane;3-methylbutan-2-ol?
The InChIKey is YQGYVZQQNIUQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O.C5H12/c1-4(2)5(3)6;1-4-5(2)3/h4-6H,1-3H3;5H,4H2,1-3H3.
What are the key properties of 2-methylbutane;3-methylbutan-2-ol?
2-methylbutane;3-methylbutan-2-ol has a molecular weight of 160.30 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutane;3-methylbutan-2-ol is sourced from PubChem (CID 87553210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).