7-propan-2-ylidenebicyclo[2.2.1]heptane-2,3-diol

C10H16O2 — CID 130144952

IUPAC7-propan-2-ylidenebicyclo[2.2.1]heptane-2,3-diol
SMILESCC(C)=C1C2CCC1C(O)C2O
InChIInChI=1S/C10H16O2/c1-5(2)8-6-3-4-7(8)10(12)9(6)11/h6-7,9-12H,3-4H2,1-2H3
InChIKeyNIDIYKOQZMXTSR-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.08
Rot. Bonds

About 7-propan-2-ylidenebicyclo[2.2.1]heptane-2,3-diol

7-propan-2-ylidenebicyclo[2.2.1]heptane-2,3-diol (PubChem CID 130144952) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 7-propan-2-ylidenebicyclo[2.2.1]heptane-2,3-diol.

Molecular Properties

Compound Name7-propan-2-ylidenebicyclo[2.2.1]heptane-2,3-diol
PubChem CID130144952
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name7-propan-2-ylidenebicyclo[2.2.1]heptane-2,3-diol
SMILESCC(C)=C1C2CCC1C(O)C2O
InChIInChI=1S/C10H16O2/c1-5(2)8-6-3-4-7(8)10(12)9(6)11/h6-7,9-12H,3-4H2,1-2H3
InChIKeyNIDIYKOQZMXTSR-UHFFFAOYSA-N
XLogP1.08
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,2R,3S,4R)-7-propan-2-ylidenebicyclo[2.2.1]heptane-2,3-dicarboxylic acid
CID 18556441
(1R,2R,6R,7R)-10-propan-2-ylidene-4-oxatricyclo[5.2.1.02,6]decane
CID 98477758
(1S,2R,3R,4S)-7-propan-2-ylidenebicyclo[2.2.1]heptane-2,3-dicarboxylic acid
CID 100719829
(1R,3R,5R,7R)-4,8-di(propan-2-ylidene)tricyclo[3.3.0.03,7]octan-2-ol
CID 10081648
(1R,2R,7S)-10-propan-2-ylidene-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione
CID 87491240
7-propan-2-ylidenebicyclo[2.2.1]heptane
CID 11073488
(1R,4S)-7-propan-2-ylidene-2,3-dioxabicyclo[2.2.1]heptane
CID 102481953
(1R,2R,3S,6S)-3,6-diphenylcyclohexane-1,2-diol
CID 124792855
(1R,2R,3R,6S)-3,6-diphenylcyclohexane-1,2-diol
CID 98598015
(1S,2R,3R,4S)-3-(cyclohexylcarbamoyl)-7-propan-2-ylidenebicyclo[2.2.1]heptane-2-carboxylic acid
CID 124678406
[(1S,2S,3R,4S)-3-[(4-methylphenyl)sulfonyloxymethyl]-7-propan-2-ylidene-2-bicyclo[2.2.1]heptanyl]methyl 4-methylbenzenesulfonate
CID 98156354
(1S,2R,3R,4R)-3-(phenylcarbamoyl)-7-propan-2-ylidenebicyclo[2.2.1]heptane-2-carboxylic acid
CID 27485869

Frequently Asked Questions

What is the IUPAC name of 7-propan-2-ylidenebicyclo[2.2.1]heptane-2,3-diol?
The IUPAC name of 7-propan-2-ylidenebicyclo[2.2.1]heptane-2,3-diol (CID 130144952) is 7-propan-2-ylidenebicyclo[2.2.1]heptane-2,3-diol.
What is the SMILES notation for 7-propan-2-ylidenebicyclo[2.2.1]heptane-2,3-diol?
The canonical SMILES for 7-propan-2-ylidenebicyclo[2.2.1]heptane-2,3-diol is CC(C)=C1C2CCC1C(O)C2O.
What is the InChIKey of 7-propan-2-ylidenebicyclo[2.2.1]heptane-2,3-diol?
The InChIKey is NIDIYKOQZMXTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-5(2)8-6-3-4-7(8)10(12)9(6)11/h6-7,9-12H,3-4H2,1-2H3.
What are the key properties of 7-propan-2-ylidenebicyclo[2.2.1]heptane-2,3-diol?
7-propan-2-ylidenebicyclo[2.2.1]heptane-2,3-diol has a molecular weight of 168.24 g/mol, XLogP of 1.08, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-ylidenebicyclo[2.2.1]heptane-2,3-diol is sourced from PubChem (CID 130144952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).