1-methyl-3-propan-2-ylbicyclo[2.2.2]octan-2-ol

C12H22O — CID 57220355

IUPAC1-methyl-3-propan-2-ylbicyclo[2.2.2]octan-2-ol
SMILESCC(C)C1C2CCC(C)(CC2)C1O
InChIInChI=1S/C12H22O/c1-8(2)10-9-4-6-12(3,7-5-9)11(10)13/h8-11,13H,4-7H2,1-3H3
InChIKeyJOMKCPRVJMOHHZ-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.83
Rot. Bonds1

About 1-methyl-3-propan-2-ylbicyclo[2.2.2]octan-2-ol

1-methyl-3-propan-2-ylbicyclo[2.2.2]octan-2-ol (PubChem CID 57220355) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-methyl-3-propan-2-ylbicyclo[2.2.2]octan-2-ol.

Molecular Properties

Compound Name1-methyl-3-propan-2-ylbicyclo[2.2.2]octan-2-ol
PubChem CID57220355
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name1-methyl-3-propan-2-ylbicyclo[2.2.2]octan-2-ol
SMILESCC(C)C1C2CCC(C)(CC2)C1O
InChIInChI=1S/C12H22O/c1-8(2)10-9-4-6-12(3,7-5-9)11(10)13/h8-11,13H,4-7H2,1-3H3
InChIKeyJOMKCPRVJMOHHZ-UHFFFAOYSA-N
XLogP2.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-ylbicyclo[2.2.2]octan-2-ol?
The IUPAC name of 1-methyl-3-propan-2-ylbicyclo[2.2.2]octan-2-ol (CID 57220355) is 1-methyl-3-propan-2-ylbicyclo[2.2.2]octan-2-ol.
What is the SMILES notation for 1-methyl-3-propan-2-ylbicyclo[2.2.2]octan-2-ol?
The canonical SMILES for 1-methyl-3-propan-2-ylbicyclo[2.2.2]octan-2-ol is CC(C)C1C2CCC(C)(CC2)C1O.
What is the InChIKey of 1-methyl-3-propan-2-ylbicyclo[2.2.2]octan-2-ol?
The InChIKey is JOMKCPRVJMOHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-8(2)10-9-4-6-12(3,7-5-9)11(10)13/h8-11,13H,4-7H2,1-3H3.
What are the key properties of 1-methyl-3-propan-2-ylbicyclo[2.2.2]octan-2-ol?
1-methyl-3-propan-2-ylbicyclo[2.2.2]octan-2-ol has a molecular weight of 182.31 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-ylbicyclo[2.2.2]octan-2-ol is sourced from PubChem (CID 57220355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).