2-propan-2-ylspiro[1,3-dioxane-5,5'-bicyclo[2.2.1]hept-2-ene]

C13H20O2 — CID 134879078

IUPAC2-propan-2-ylspiro[1,3-dioxane-5,5'-bicyclo[2.2.1]hept-2-ene]
SMILESCC(C)C1OCC2(CO1)CC1C=CC2C1
InChIInChI=1S/C13H20O2/c1-9(2)12-14-7-13(8-15-12)6-10-3-4-11(13)5-10/h3-4,9-12H,5-8H2,1-2H3
InChIKeyBWNWUJPWIGTCGT-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.60
Rot. Bonds1

About 2-propan-2-ylspiro[1,3-dioxane-5,5'-bicyclo[2.2.1]hept-2-ene]

2-propan-2-ylspiro[1,3-dioxane-5,5'-bicyclo[2.2.1]hept-2-ene] (PubChem CID 134879078) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-propan-2-ylspiro[1,3-dioxane-5,5'-bicyclo[2.2.1]hept-2-ene].

Molecular Properties

Compound Name2-propan-2-ylspiro[1,3-dioxane-5,5'-bicyclo[2.2.1]hept-2-ene]
PubChem CID134879078
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name2-propan-2-ylspiro[1,3-dioxane-5,5'-bicyclo[2.2.1]hept-2-ene]
SMILESCC(C)C1OCC2(CO1)CC1C=CC2C1
InChIInChI=1S/C13H20O2/c1-9(2)12-14-7-13(8-15-12)6-10-3-4-11(13)5-10/h3-4,9-12H,5-8H2,1-2H3
InChIKeyBWNWUJPWIGTCGT-UHFFFAOYSA-N
XLogP2.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-propan-2-ylspiro[1,3-dioxane-5,5'-bicyclo[2.2.1]hept-2-ene] 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

Spiro[bicyclo[2.2.1]hept-5-ene-2,5'-[1,3]dioxan]-2'-one
CID 380688
2'-(3-Cyclohexen-1-yl)spiro[bicyclo[2.2.1]hept-5-ene-2,5'-[1,3]dioxane]
CID 107116
(3'aR,4'S,6'aS)-4',5,5-trimethylspiro[1,3-dioxane-2,2'-3,3a,4,6a-tetrahydro-1H-pentalene]
CID 71606812
5-Norbornene-2-carboxaldehyde dimethyl acetal
CID 20707338
2-Methylspiro[1,3-dioxane-5,5'-bicyclo[2.2.1]hept-2-ene]
CID 134895236
2'-Bicyclo(2.2.1)hept-5-en-2-ylspiro(bicyclo(2.2.1)hept-5-ene-2,5'-(1,3)dioxane)
CID 107174
1-Methoxy-11-methyl-2-oxaspiro[5.5]undec-9-ene
CID 66600601
2-[(6,6-Dimethyl-2-tricyclo[5.2.1.01,5]dec-8-enyl)methoxy]oxane
CID 14166728
2-[(1S,2S,3R,4R)-3-methyl-2-bicyclo[2.2.1]hept-5-enyl]-1,3-dioxolane
CID 102013660
[(1'R,2'S)-2,2-dimethylspiro[1,3-dioxane-5,3'-bicyclo[2.2.1]hept-5-ene]-2'-yl]methanol
CID 134833000
(1'R)-2,2-dimethyl-6'-methylidenespiro[1,3-dioxane-5,5'-bicyclo[2.2.1]hept-2-ene]
CID 134857329
2,2-Dimethylspiro[1,3-dioxane-5,5'-bicyclo[2.2.1]hept-2-ene]
CID 134895169

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylspiro[1,3-dioxane-5,5'-bicyclo[2.2.1]hept-2-ene]?
The IUPAC name of 2-propan-2-ylspiro[1,3-dioxane-5,5'-bicyclo[2.2.1]hept-2-ene] (CID 134879078) is 2-propan-2-ylspiro[1,3-dioxane-5,5'-bicyclo[2.2.1]hept-2-ene].
What is the SMILES notation for 2-propan-2-ylspiro[1,3-dioxane-5,5'-bicyclo[2.2.1]hept-2-ene]?
The canonical SMILES for 2-propan-2-ylspiro[1,3-dioxane-5,5'-bicyclo[2.2.1]hept-2-ene] is CC(C)C1OCC2(CO1)CC1C=CC2C1.
What is the InChIKey of 2-propan-2-ylspiro[1,3-dioxane-5,5'-bicyclo[2.2.1]hept-2-ene]?
The InChIKey is BWNWUJPWIGTCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-9(2)12-14-7-13(8-15-12)6-10-3-4-11(13)5-10/h3-4,9-12H,5-8H2,1-2H3.
What are the key properties of 2-propan-2-ylspiro[1,3-dioxane-5,5'-bicyclo[2.2.1]hept-2-ene]?
2-propan-2-ylspiro[1,3-dioxane-5,5'-bicyclo[2.2.1]hept-2-ene] has a molecular weight of 208.30 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylspiro[1,3-dioxane-5,5'-bicyclo[2.2.1]hept-2-ene] is sourced from PubChem (CID 134879078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).