(1'R)-2,2-dimethyl-6'-methylidenespiro[1,3-dioxane-5,5'-bicyclo[2.2.1]hept-2-ene]

C13H18O2 — CID 134857329

IUPAC(1'R)-2,2-dimethyl-6'-methylidenespiro[1,3-dioxane-5,5'-bicyclo[2.2.1]hept-2-ene]
SMILESC=C1[C@H]2C=CC(C2)C12COC(C)(C)OC2
InChIInChI=1S/C13H18O2/c1-9-10-4-5-11(6-10)13(9)7-14-12(2,3)15-8-13/h4-5,10-11H,1,6-8H2,2-3H3/t10-,11?/m0/s1
InChIKeyRXBUYXHQFCCCMC-VUWPPUDQSA-N
MW206.28 g/mol
LogP2.52
Rot. Bonds

About (1'R)-2,2-dimethyl-6'-methylidenespiro[1,3-dioxane-5,5'-bicyclo[2.2.1]hept-2-ene]

(1'R)-2,2-dimethyl-6'-methylidenespiro[1,3-dioxane-5,5'-bicyclo[2.2.1]hept-2-ene] (PubChem CID 134857329) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is (1'R)-2,2-dimethyl-6'-methylidenespiro[1,3-dioxane-5,5'-bicyclo[2.2.1]hept-2-ene].

Molecular Properties

Compound Name(1'R)-2,2-dimethyl-6'-methylidenespiro[1,3-dioxane-5,5'-bicyclo[2.2.1]hept-2-ene]
PubChem CID134857329
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name(1'R)-2,2-dimethyl-6'-methylidenespiro[1,3-dioxane-5,5'-bicyclo[2.2.1]hept-2-ene]
SMILESC=C1[C@H]2C=CC(C2)C12COC(C)(C)OC2
InChIInChI=1S/C13H18O2/c1-9-10-4-5-11(6-10)13(9)7-14-12(2,3)15-8-13/h4-5,10-11H,1,6-8H2,2-3H3/t10-,11?/m0/s1
InChIKeyRXBUYXHQFCCCMC-VUWPPUDQSA-N
XLogP2.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1'R)-2,2-dimethyl-6'-methylidenespiro[1,3-dioxane-5,5'-bicyclo[2.2.1]hept-2-ene]?
The IUPAC name of (1'R)-2,2-dimethyl-6'-methylidenespiro[1,3-dioxane-5,5'-bicyclo[2.2.1]hept-2-ene] (CID 134857329) is (1'R)-2,2-dimethyl-6'-methylidenespiro[1,3-dioxane-5,5'-bicyclo[2.2.1]hept-2-ene].
What is the SMILES notation for (1'R)-2,2-dimethyl-6'-methylidenespiro[1,3-dioxane-5,5'-bicyclo[2.2.1]hept-2-ene]?
The canonical SMILES for (1'R)-2,2-dimethyl-6'-methylidenespiro[1,3-dioxane-5,5'-bicyclo[2.2.1]hept-2-ene] is C=C1[C@H]2C=CC(C2)C12COC(C)(C)OC2.
What is the InChIKey of (1'R)-2,2-dimethyl-6'-methylidenespiro[1,3-dioxane-5,5'-bicyclo[2.2.1]hept-2-ene]?
The InChIKey is RXBUYXHQFCCCMC-VUWPPUDQSA-N. The full InChI is InChI=1S/C13H18O2/c1-9-10-4-5-11(6-10)13(9)7-14-12(2,3)15-8-13/h4-5,10-11H,1,6-8H2,2-3H3/t10-,11?/m0/s1.
What are the key properties of (1'R)-2,2-dimethyl-6'-methylidenespiro[1,3-dioxane-5,5'-bicyclo[2.2.1]hept-2-ene]?
(1'R)-2,2-dimethyl-6'-methylidenespiro[1,3-dioxane-5,5'-bicyclo[2.2.1]hept-2-ene] has a molecular weight of 206.28 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R)-2,2-dimethyl-6'-methylidenespiro[1,3-dioxane-5,5'-bicyclo[2.2.1]hept-2-ene] is sourced from PubChem (CID 134857329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).