acetic acid;7,7-dimethylbicyclo[2.2.1]heptan-2-ol

C11H20O3 — CID 71385260

IUPACacetic acid;7,7-dimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC(=O)O.CC1(C)C2CCC1C(O)C2
InChIInChI=1S/C9H16O.C2H4O2/c1-9(2)6-3-4-7(9)8(10)5-6;1-2(3)4/h6-8,10H,3-5H2,1-2H3;1H3,(H,3,4)
InChIKeyQOBXAPLNEUYTCA-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.89
Rot. Bonds

About acetic acid;7,7-dimethylbicyclo[2.2.1]heptan-2-ol

acetic acid;7,7-dimethylbicyclo[2.2.1]heptan-2-ol (PubChem CID 71385260) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is acetic acid;7,7-dimethylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Nameacetic acid;7,7-dimethylbicyclo[2.2.1]heptan-2-ol
PubChem CID71385260
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Nameacetic acid;7,7-dimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC(=O)O.CC1(C)C2CCC1C(O)C2
InChIInChI=1S/C9H16O.C2H4O2/c1-9(2)6-3-4-7(9)8(10)5-6;1-2(3)4/h6-8,10H,3-5H2,1-2H3;1H3,(H,3,4)
InChIKeyQOBXAPLNEUYTCA-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S,4S)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
CID 124541868
(1R,2R,5S)-6,6-dimethylbicyclo[3.1.1]heptan-2-ol
CID 11263535
7-methylbicyclo[2.2.1]heptane-2,7-diol
CID 130146915
[(1R,2R,4R)-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl] acetate
CID 13094010
potassium;2,6,6-trimethylbicyclo[3.1.1]heptane;acetate
CID 175847104
4-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)butan-2-one
CID 134964412
(1R,2S,4S)-7,7-dimethylbicyclo[2.2.1]heptane-2-carbaldehyde
CID 45083752
(7,7-dimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylpropanoate
CID 70809815
1-[(1S,2S,4S)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]ethanone
CID 98051573
(1S,2S,4S)-5,5-dimethylbicyclo[2.1.1]hexane-2-carboxylic acid
CID 98513301
2-[carboxymethyl-[[(1R,2S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]amino]acetic acid
CID 129207061
2-[carboxymethyl-[[(1R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]amino]acetic acid
CID 146185996

Frequently Asked Questions

What is the IUPAC name of acetic acid;7,7-dimethylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of acetic acid;7,7-dimethylbicyclo[2.2.1]heptan-2-ol (CID 71385260) is acetic acid;7,7-dimethylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for acetic acid;7,7-dimethylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for acetic acid;7,7-dimethylbicyclo[2.2.1]heptan-2-ol is CC(=O)O.CC1(C)C2CCC1C(O)C2.
What is the InChIKey of acetic acid;7,7-dimethylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is QOBXAPLNEUYTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O.C2H4O2/c1-9(2)6-3-4-7(9)8(10)5-6;1-2(3)4/h6-8,10H,3-5H2,1-2H3;1H3,(H,3,4).
What are the key properties of acetic acid;7,7-dimethylbicyclo[2.2.1]heptan-2-ol?
acetic acid;7,7-dimethylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 200.28 g/mol, XLogP of 1.89, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;7,7-dimethylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 71385260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).