3-propan-2-ylbicyclo[3.2.1]octan-3-ol

C11H20O — CID 140568777

IUPAC3-propan-2-ylbicyclo[3.2.1]octan-3-ol
SMILESCC(C)C1(O)CC2CCC(C2)C1
InChIInChI=1S/C11H20O/c1-8(2)11(12)6-9-3-4-10(5-9)7-11/h8-10,12H,3-7H2,1-2H3
InChIKeyMPNFGNRJXBRVPI-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.58
Rot. Bonds1

About 3-propan-2-ylbicyclo[3.2.1]octan-3-ol

3-propan-2-ylbicyclo[3.2.1]octan-3-ol (PubChem CID 140568777) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 3-propan-2-ylbicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-propan-2-ylbicyclo[3.2.1]octan-3-ol
PubChem CID140568777
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name3-propan-2-ylbicyclo[3.2.1]octan-3-ol
SMILESCC(C)C1(O)CC2CCC(C2)C1
InChIInChI=1S/C11H20O/c1-8(2)11(12)6-9-3-4-10(5-9)7-11/h8-10,12H,3-7H2,1-2H3
InChIKeyMPNFGNRJXBRVPI-UHFFFAOYSA-N
XLogP2.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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 3-propan-2-ylbicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-propan-2-ylbicyclo[3.2.1]octan-3-ol (CID 140568777) is 3-propan-2-ylbicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-propan-2-ylbicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-propan-2-ylbicyclo[3.2.1]octan-3-ol is CC(C)C1(O)CC2CCC(C2)C1.
What is the InChIKey of 3-propan-2-ylbicyclo[3.2.1]octan-3-ol?
The InChIKey is MPNFGNRJXBRVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-8(2)11(12)6-9-3-4-10(5-9)7-11/h8-10,12H,3-7H2,1-2H3.
What are the key properties of 3-propan-2-ylbicyclo[3.2.1]octan-3-ol?
3-propan-2-ylbicyclo[3.2.1]octan-3-ol has a molecular weight of 168.28 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylbicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 140568777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).