2-methyl-4-(3-methylpentan-3-yloxy)butan-2-ol

C11H24O2 — CID 19602316

IUPAC2-methyl-4-(3-methylpentan-3-yloxy)butan-2-ol
SMILESCCC(C)(CC)OCCC(C)(C)O
InChIInChI=1S/C11H24O2/c1-6-11(5,7-2)13-9-8-10(3,4)12/h12H,6-9H2,1-5H3
InChIKeyGWUJDAJQIZWCTA-UHFFFAOYSA-N
MW188.31 g/mol
LogP2.74
Rot. Bonds6

About 2-methyl-4-(3-methylpentan-3-yloxy)butan-2-ol

2-methyl-4-(3-methylpentan-3-yloxy)butan-2-ol (PubChem CID 19602316) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 2-methyl-4-(3-methylpentan-3-yloxy)butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-(3-methylpentan-3-yloxy)butan-2-ol
PubChem CID19602316
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name2-methyl-4-(3-methylpentan-3-yloxy)butan-2-ol
SMILESCCC(C)(CC)OCCC(C)(C)O
InChIInChI=1S/C11H24O2/c1-6-11(5,7-2)13-9-8-10(3,4)12/h12H,6-9H2,1-5H3
InChIKeyGWUJDAJQIZWCTA-UHFFFAOYSA-N
XLogP2.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-methylpentan-3-yloxy)butan-2-ol?
The IUPAC name of 2-methyl-4-(3-methylpentan-3-yloxy)butan-2-ol (CID 19602316) is 2-methyl-4-(3-methylpentan-3-yloxy)butan-2-ol.
What is the SMILES notation for 2-methyl-4-(3-methylpentan-3-yloxy)butan-2-ol?
The canonical SMILES for 2-methyl-4-(3-methylpentan-3-yloxy)butan-2-ol is CCC(C)(CC)OCCC(C)(C)O.
What is the InChIKey of 2-methyl-4-(3-methylpentan-3-yloxy)butan-2-ol?
The InChIKey is GWUJDAJQIZWCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-6-11(5,7-2)13-9-8-10(3,4)12/h12H,6-9H2,1-5H3.
What are the key properties of 2-methyl-4-(3-methylpentan-3-yloxy)butan-2-ol?
2-methyl-4-(3-methylpentan-3-yloxy)butan-2-ol has a molecular weight of 188.31 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-methylpentan-3-yloxy)butan-2-ol is sourced from PubChem (CID 19602316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).