(1R,4S)-7-propan-2-ylidene-2,3-dioxabicyclo[2.2.1]heptane

C8H12O2 — CID 102481953

IUPAC(1R,4S)-7-propan-2-ylidene-2,3-dioxabicyclo[2.2.1]heptane
SMILESCC(C)=C1[C@@H]2CC[C@H]1OO2
InChIInChI=1S/C8H12O2/c1-5(2)8-6-3-4-7(8)10-9-6/h6-7H,3-4H2,1-2H3/t6-,7+
InChIKeyKHBKXVVQUKZWME-KNVOCYPGSA-N
MW140.18 g/mol
LogP1.82
Rot. Bonds

About (1R,4S)-7-propan-2-ylidene-2,3-dioxabicyclo[2.2.1]heptane

(1R,4S)-7-propan-2-ylidene-2,3-dioxabicyclo[2.2.1]heptane (PubChem CID 102481953) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (1R,4S)-7-propan-2-ylidene-2,3-dioxabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,4S)-7-propan-2-ylidene-2,3-dioxabicyclo[2.2.1]heptane
PubChem CID102481953
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(1R,4S)-7-propan-2-ylidene-2,3-dioxabicyclo[2.2.1]heptane
SMILESCC(C)=C1[C@@H]2CC[C@H]1OO2
InChIInChI=1S/C8H12O2/c1-5(2)8-6-3-4-7(8)10-9-6/h6-7H,3-4H2,1-2H3/t6-,7+
InChIKeyKHBKXVVQUKZWME-KNVOCYPGSA-N
XLogP1.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,4S)-7-propan-2-ylidene-2,3-dioxabicyclo[2.2.1]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,4S)-7-[(E)-2-methylbut-2-enylidene]-2,3-dioxabicyclo[2.2.1]heptane
CID 101416736
7-propan-2-ylidenebicyclo[2.2.1]heptane
CID 11073488
(1R,2R,6R,7R)-10-propan-2-ylidene-4-oxatricyclo[5.2.1.02,6]decane
CID 98477758
5,6-dimethylidene-2,3-dioxabicyclo[2.2.2]octane
CID 131858390
(1S,8R)-3,4,5,6-tetrachloro-11-propan-2-ylidenetricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
CID 95565029
(1R,2R,7S)-10-propan-2-ylidene-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione
CID 87491240
(1R,3S,6S,8R)-11-propan-2-ylidenetetracyclo[6.2.1.13,6.02,7]dodec-2(7)-ene
CID 125036274
(1R,2R,3S,4R)-7-propan-2-ylidenebicyclo[2.2.1]heptane-2,3-dicarboxylic acid
CID 18556441
(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,5S,7S,11R)-6,12-di(propan-2-ylidene)-3-oxaheptacyclo[6.4.1.02,4.02,7.04,11.05,9.010,13]tridecane
CID 124525561
2,3-di(propan-2-ylidene)bicyclo[2.2.1]heptane
CID 57216990

Frequently Asked Questions

What is the IUPAC name of (1R,4S)-7-propan-2-ylidene-2,3-dioxabicyclo[2.2.1]heptane?
The IUPAC name of (1R,4S)-7-propan-2-ylidene-2,3-dioxabicyclo[2.2.1]heptane (CID 102481953) is (1R,4S)-7-propan-2-ylidene-2,3-dioxabicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,4S)-7-propan-2-ylidene-2,3-dioxabicyclo[2.2.1]heptane?
The canonical SMILES for (1R,4S)-7-propan-2-ylidene-2,3-dioxabicyclo[2.2.1]heptane is CC(C)=C1[C@@H]2CC[C@H]1OO2.
What is the InChIKey of (1R,4S)-7-propan-2-ylidene-2,3-dioxabicyclo[2.2.1]heptane?
The InChIKey is KHBKXVVQUKZWME-KNVOCYPGSA-N. The full InChI is InChI=1S/C8H12O2/c1-5(2)8-6-3-4-7(8)10-9-6/h6-7H,3-4H2,1-2H3/t6-,7+.
What are the key properties of (1R,4S)-7-propan-2-ylidene-2,3-dioxabicyclo[2.2.1]heptane?
(1R,4S)-7-propan-2-ylidene-2,3-dioxabicyclo[2.2.1]heptane has a molecular weight of 140.18 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-7-propan-2-ylidene-2,3-dioxabicyclo[2.2.1]heptane is sourced from PubChem (CID 102481953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).