1,5-dimethylbicyclo[3.2.1]octan-8-ol;formic acid

C11H20O3 — CID 70582524

IUPAC1,5-dimethylbicyclo[3.2.1]octan-8-ol;formic acid
SMILESCC12CCCC(C)(CC1)C2O.O=CO
InChIInChI=1S/C10H18O.CH2O2/c1-9-4-3-5-10(2,7-6-9)8(9)11;2-1-3/h8,11H,3-7H2,1-2H3;1H,(H,2,3)
InChIKeyKCKFUQRYPGSSIB-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.04
Rot. Bonds

About 1,5-dimethylbicyclo[3.2.1]octan-8-ol;formic acid

1,5-dimethylbicyclo[3.2.1]octan-8-ol;formic acid (PubChem CID 70582524) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1,5-dimethylbicyclo[3.2.1]octan-8-ol;formic acid.

Molecular Properties

Compound Name1,5-dimethylbicyclo[3.2.1]octan-8-ol;formic acid
PubChem CID70582524
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name1,5-dimethylbicyclo[3.2.1]octan-8-ol;formic acid
SMILESCC12CCCC(C)(CC1)C2O.O=CO
InChIInChI=1S/C10H18O.CH2O2/c1-9-4-3-5-10(2,7-6-9)8(9)11;2-1-3/h8,11H,3-7H2,1-2H3;1H,(H,2,3)
InChIKeyKCKFUQRYPGSSIB-UHFFFAOYSA-N
XLogP2.04
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethylbicyclo[3.2.1]octan-8-ol;formic acid?
The IUPAC name of 1,5-dimethylbicyclo[3.2.1]octan-8-ol;formic acid (CID 70582524) is 1,5-dimethylbicyclo[3.2.1]octan-8-ol;formic acid.
What is the SMILES notation for 1,5-dimethylbicyclo[3.2.1]octan-8-ol;formic acid?
The canonical SMILES for 1,5-dimethylbicyclo[3.2.1]octan-8-ol;formic acid is CC12CCCC(C)(CC1)C2O.O=CO.
What is the InChIKey of 1,5-dimethylbicyclo[3.2.1]octan-8-ol;formic acid?
The InChIKey is KCKFUQRYPGSSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O.CH2O2/c1-9-4-3-5-10(2,7-6-9)8(9)11;2-1-3/h8,11H,3-7H2,1-2H3;1H,(H,2,3).
What are the key properties of 1,5-dimethylbicyclo[3.2.1]octan-8-ol;formic acid?
1,5-dimethylbicyclo[3.2.1]octan-8-ol;formic acid has a molecular weight of 200.28 g/mol, XLogP of 2.04, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethylbicyclo[3.2.1]octan-8-ol;formic acid is sourced from PubChem (CID 70582524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).