7,7-dimethyl-5-propan-2-ylbicyclo[3.2.1]octan-2-ol

C13H24O — CID 69037673

IUPAC7,7-dimethyl-5-propan-2-ylbicyclo[3.2.1]octan-2-ol
SMILESCC(C)C12CCC(O)C(C1)C(C)(C)C2
InChIInChI=1S/C13H24O/c1-9(2)13-6-5-11(14)10(7-13)12(3,4)8-13/h9-11,14H,5-8H2,1-4H3
InChIKeyIOEICAHMUSBJBU-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.22
Rot. Bonds1

About 7,7-dimethyl-5-propan-2-ylbicyclo[3.2.1]octan-2-ol

7,7-dimethyl-5-propan-2-ylbicyclo[3.2.1]octan-2-ol (PubChem CID 69037673) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 7,7-dimethyl-5-propan-2-ylbicyclo[3.2.1]octan-2-ol.

Molecular Properties

Compound Name7,7-dimethyl-5-propan-2-ylbicyclo[3.2.1]octan-2-ol
PubChem CID69037673
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name7,7-dimethyl-5-propan-2-ylbicyclo[3.2.1]octan-2-ol
SMILESCC(C)C12CCC(O)C(C1)C(C)(C)C2
InChIInChI=1S/C13H24O/c1-9(2)13-6-5-11(14)10(7-13)12(3,4)8-13/h9-11,14H,5-8H2,1-4H3
InChIKeyIOEICAHMUSBJBU-UHFFFAOYSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-5-propan-2-ylbicyclo[3.2.1]octan-2-ol?
The IUPAC name of 7,7-dimethyl-5-propan-2-ylbicyclo[3.2.1]octan-2-ol (CID 69037673) is 7,7-dimethyl-5-propan-2-ylbicyclo[3.2.1]octan-2-ol.
What is the SMILES notation for 7,7-dimethyl-5-propan-2-ylbicyclo[3.2.1]octan-2-ol?
The canonical SMILES for 7,7-dimethyl-5-propan-2-ylbicyclo[3.2.1]octan-2-ol is CC(C)C12CCC(O)C(C1)C(C)(C)C2.
What is the InChIKey of 7,7-dimethyl-5-propan-2-ylbicyclo[3.2.1]octan-2-ol?
The InChIKey is IOEICAHMUSBJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-9(2)13-6-5-11(14)10(7-13)12(3,4)8-13/h9-11,14H,5-8H2,1-4H3.
What are the key properties of 7,7-dimethyl-5-propan-2-ylbicyclo[3.2.1]octan-2-ol?
7,7-dimethyl-5-propan-2-ylbicyclo[3.2.1]octan-2-ol has a molecular weight of 196.33 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-5-propan-2-ylbicyclo[3.2.1]octan-2-ol is sourced from PubChem (CID 69037673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).