1-(7-bicyclo[2.2.1]heptanyl)-2-methylpropan-2-ol

C11H20O — CID 59611877

IUPAC1-(7-bicyclo[2.2.1]heptanyl)-2-methylpropan-2-ol
SMILESCC(C)(O)CC1C2CCC1CC2
InChIInChI=1S/C11H20O/c1-11(2,12)7-10-8-3-4-9(10)6-5-8/h8-10,12H,3-7H2,1-2H3
InChIKeyFYCDVNRNKJGVSY-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.58
Rot. Bonds2

About 1-(7-bicyclo[2.2.1]heptanyl)-2-methylpropan-2-ol

1-(7-bicyclo[2.2.1]heptanyl)-2-methylpropan-2-ol (PubChem CID 59611877) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-(7-bicyclo[2.2.1]heptanyl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(7-bicyclo[2.2.1]heptanyl)-2-methylpropan-2-ol
PubChem CID59611877
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name1-(7-bicyclo[2.2.1]heptanyl)-2-methylpropan-2-ol
SMILESCC(C)(O)CC1C2CCC1CC2
InChIInChI=1S/C11H20O/c1-11(2,12)7-10-8-3-4-9(10)6-5-8/h8-10,12H,3-7H2,1-2H3
InChIKeyFYCDVNRNKJGVSY-UHFFFAOYSA-N
XLogP2.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[2.2.1]heptanyl)-2-methylpropan-2-ol?
The IUPAC name of 1-(7-bicyclo[2.2.1]heptanyl)-2-methylpropan-2-ol (CID 59611877) is 1-(7-bicyclo[2.2.1]heptanyl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(7-bicyclo[2.2.1]heptanyl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(7-bicyclo[2.2.1]heptanyl)-2-methylpropan-2-ol is CC(C)(O)CC1C2CCC1CC2.
What is the InChIKey of 1-(7-bicyclo[2.2.1]heptanyl)-2-methylpropan-2-ol?
The InChIKey is FYCDVNRNKJGVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-11(2,12)7-10-8-3-4-9(10)6-5-8/h8-10,12H,3-7H2,1-2H3.
What are the key properties of 1-(7-bicyclo[2.2.1]heptanyl)-2-methylpropan-2-ol?
1-(7-bicyclo[2.2.1]heptanyl)-2-methylpropan-2-ol has a molecular weight of 168.28 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bicyclo[2.2.1]heptanyl)-2-methylpropan-2-ol is sourced from PubChem (CID 59611877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).