(1'S,5'R)-4,5-dimethylspiro[1,3-dioxane-2,4'-6,8-dioxabicyclo[3.2.1]octane]

C11H18O4 — CID 166792879

IUPAC(1'S,5'R)-4,5-dimethylspiro[1,3-dioxane-2,4'-6,8-dioxabicyclo[3.2.1]octane]
SMILESCC1COC2(CC[C@H]3CO[C@@H]2O3)OC1C
InChIInChI=1S/C11H18O4/c1-7-5-13-11(15-8(7)2)4-3-9-6-12-10(11)14-9/h7-10H,3-6H2,1-2H3/t7?,8?,9-,10+,11?/m0/s1
InChIKeyDHXJWUQGOKILFR-IXKHLQNRSA-N
MW214.26 g/mol
LogP1.29
Rot. Bonds

About (1'S,5'R)-4,5-dimethylspiro[1,3-dioxane-2,4'-6,8-dioxabicyclo[3.2.1]octane]

(1'S,5'R)-4,5-dimethylspiro[1,3-dioxane-2,4'-6,8-dioxabicyclo[3.2.1]octane] (PubChem CID 166792879) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is (1'S,5'R)-4,5-dimethylspiro[1,3-dioxane-2,4'-6,8-dioxabicyclo[3.2.1]octane].

Molecular Properties

Compound Name(1'S,5'R)-4,5-dimethylspiro[1,3-dioxane-2,4'-6,8-dioxabicyclo[3.2.1]octane]
PubChem CID166792879
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name(1'S,5'R)-4,5-dimethylspiro[1,3-dioxane-2,4'-6,8-dioxabicyclo[3.2.1]octane]
SMILESCC1COC2(CC[C@H]3CO[C@@H]2O3)OC1C
InChIInChI=1S/C11H18O4/c1-7-5-13-11(15-8(7)2)4-3-9-6-12-10(11)14-9/h7-10H,3-6H2,1-2H3/t7?,8?,9-,10+,11?/m0/s1
InChIKeyDHXJWUQGOKILFR-IXKHLQNRSA-N
XLogP1.29
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1'S,5'R)-4,5-dimethylspiro[1,3-dioxane-2,4'-6,8-dioxabicyclo[3.2.1]octane] with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1'S,5'R)-4,5-dimethylspiro[1,3-dioxane-2,4'-6,8-dioxabicyclo[3.2.1]octane]?
The IUPAC name of (1'S,5'R)-4,5-dimethylspiro[1,3-dioxane-2,4'-6,8-dioxabicyclo[3.2.1]octane] (CID 166792879) is (1'S,5'R)-4,5-dimethylspiro[1,3-dioxane-2,4'-6,8-dioxabicyclo[3.2.1]octane].
What is the SMILES notation for (1'S,5'R)-4,5-dimethylspiro[1,3-dioxane-2,4'-6,8-dioxabicyclo[3.2.1]octane]?
The canonical SMILES for (1'S,5'R)-4,5-dimethylspiro[1,3-dioxane-2,4'-6,8-dioxabicyclo[3.2.1]octane] is CC1COC2(CC[C@H]3CO[C@@H]2O3)OC1C.
What is the InChIKey of (1'S,5'R)-4,5-dimethylspiro[1,3-dioxane-2,4'-6,8-dioxabicyclo[3.2.1]octane]?
The InChIKey is DHXJWUQGOKILFR-IXKHLQNRSA-N. The full InChI is InChI=1S/C11H18O4/c1-7-5-13-11(15-8(7)2)4-3-9-6-12-10(11)14-9/h7-10H,3-6H2,1-2H3/t7?,8?,9-,10+,11?/m0/s1.
What are the key properties of (1'S,5'R)-4,5-dimethylspiro[1,3-dioxane-2,4'-6,8-dioxabicyclo[3.2.1]octane]?
(1'S,5'R)-4,5-dimethylspiro[1,3-dioxane-2,4'-6,8-dioxabicyclo[3.2.1]octane] has a molecular weight of 214.26 g/mol, XLogP of 1.29, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1'S,5'R)-4,5-dimethylspiro[1,3-dioxane-2,4'-6,8-dioxabicyclo[3.2.1]octane] is sourced from PubChem (CID 166792879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).