2-methyl-4-(3-methylbutan-2-yl)oxan-4-ol

C11H22O2 — CID 126999258

IUPAC2-methyl-4-(3-methylbutan-2-yl)oxan-4-ol
SMILESCC1CC(O)(C(C)C(C)C)CCO1
InChIInChI=1S/C11H22O2/c1-8(2)10(4)11(12)5-6-13-9(3)7-11/h8-10,12H,5-7H2,1-4H3
InChIKeyFYGXGYZMNKLGHO-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.21
Rot. Bonds2

About 2-methyl-4-(3-methylbutan-2-yl)oxan-4-ol

2-methyl-4-(3-methylbutan-2-yl)oxan-4-ol (PubChem CID 126999258) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 2-methyl-4-(3-methylbutan-2-yl)oxan-4-ol.

Molecular Properties

Compound Name2-methyl-4-(3-methylbutan-2-yl)oxan-4-ol
PubChem CID126999258
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name2-methyl-4-(3-methylbutan-2-yl)oxan-4-ol
SMILESCC1CC(O)(C(C)C(C)C)CCO1
InChIInChI=1S/C11H22O2/c1-8(2)10(4)11(12)5-6-13-9(3)7-11/h8-10,12H,5-7H2,1-4H3
InChIKeyFYGXGYZMNKLGHO-UHFFFAOYSA-N
XLogP2.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.21
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-methylbutan-2-yl)oxan-4-ol?
The IUPAC name of 2-methyl-4-(3-methylbutan-2-yl)oxan-4-ol (CID 126999258) is 2-methyl-4-(3-methylbutan-2-yl)oxan-4-ol.
What is the SMILES notation for 2-methyl-4-(3-methylbutan-2-yl)oxan-4-ol?
The canonical SMILES for 2-methyl-4-(3-methylbutan-2-yl)oxan-4-ol is CC1CC(O)(C(C)C(C)C)CCO1.
What is the InChIKey of 2-methyl-4-(3-methylbutan-2-yl)oxan-4-ol?
The InChIKey is FYGXGYZMNKLGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-8(2)10(4)11(12)5-6-13-9(3)7-11/h8-10,12H,5-7H2,1-4H3.
What are the key properties of 2-methyl-4-(3-methylbutan-2-yl)oxan-4-ol?
2-methyl-4-(3-methylbutan-2-yl)oxan-4-ol has a molecular weight of 186.29 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-methylbutan-2-yl)oxan-4-ol is sourced from PubChem (CID 126999258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).