(2R,4R,6R,8R)-1,2,4,5,6,8-hexamethyl-3,7-dioxatetracyclo[3.3.0.02,4.06,8]octane

C12H18O2 — CID 98515393

IUPAC(2R,4R,6R,8R)-1,2,4,5,6,8-hexamethyl-3,7-dioxatetracyclo[3.3.0.02,4.06,8]octane
SMILESCC12C(C)([C@@]3(C)O[C@]13C)[C@@]1(C)O[C@]21C
InChIInChI=1S/C12H18O2/c1-7-8(2,11(5)9(7,3)13-11)12(6)10(7,4)14-12/h1-6H3/t7?,8?,9-,10-,11-,12-/m1/s1
InChIKeyIAICHWCBJHUEAN-IVWMKOAXSA-N
MW194.27 g/mol
LogP2.12
Rot. Bonds

About (2R,4R,6R,8R)-1,2,4,5,6,8-hexamethyl-3,7-dioxatetracyclo[3.3.0.02,4.06,8]octane

(2R,4R,6R,8R)-1,2,4,5,6,8-hexamethyl-3,7-dioxatetracyclo[3.3.0.02,4.06,8]octane (PubChem CID 98515393) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is (2R,4R,6R,8R)-1,2,4,5,6,8-hexamethyl-3,7-dioxatetracyclo[3.3.0.02,4.06,8]octane.

Molecular Properties

Compound Name(2R,4R,6R,8R)-1,2,4,5,6,8-hexamethyl-3,7-dioxatetracyclo[3.3.0.02,4.06,8]octane
PubChem CID98515393
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name(2R,4R,6R,8R)-1,2,4,5,6,8-hexamethyl-3,7-dioxatetracyclo[3.3.0.02,4.06,8]octane
SMILESCC12C(C)([C@@]3(C)O[C@]13C)[C@@]1(C)O[C@]21C
InChIInChI=1S/C12H18O2/c1-7-8(2,11(5)9(7,3)13-11)12(6)10(7,4)14-12/h1-6H3/t7?,8?,9-,10-,11-,12-/m1/s1
InChIKeyIAICHWCBJHUEAN-IVWMKOAXSA-N
XLogP2.12
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,4R,6R,8R)-1,2,4,5,6,8-hexamethyl-3,7-dioxatetracyclo[3.3.0.02,4.06,8]octane?
The IUPAC name of (2R,4R,6R,8R)-1,2,4,5,6,8-hexamethyl-3,7-dioxatetracyclo[3.3.0.02,4.06,8]octane (CID 98515393) is (2R,4R,6R,8R)-1,2,4,5,6,8-hexamethyl-3,7-dioxatetracyclo[3.3.0.02,4.06,8]octane.
What is the SMILES notation for (2R,4R,6R,8R)-1,2,4,5,6,8-hexamethyl-3,7-dioxatetracyclo[3.3.0.02,4.06,8]octane?
The canonical SMILES for (2R,4R,6R,8R)-1,2,4,5,6,8-hexamethyl-3,7-dioxatetracyclo[3.3.0.02,4.06,8]octane is CC12C(C)([C@@]3(C)O[C@]13C)[C@@]1(C)O[C@]21C.
What is the InChIKey of (2R,4R,6R,8R)-1,2,4,5,6,8-hexamethyl-3,7-dioxatetracyclo[3.3.0.02,4.06,8]octane?
The InChIKey is IAICHWCBJHUEAN-IVWMKOAXSA-N. The full InChI is InChI=1S/C12H18O2/c1-7-8(2,11(5)9(7,3)13-11)12(6)10(7,4)14-12/h1-6H3/t7?,8?,9-,10-,11-,12-/m1/s1.
What are the key properties of (2R,4R,6R,8R)-1,2,4,5,6,8-hexamethyl-3,7-dioxatetracyclo[3.3.0.02,4.06,8]octane?
(2R,4R,6R,8R)-1,2,4,5,6,8-hexamethyl-3,7-dioxatetracyclo[3.3.0.02,4.06,8]octane has a molecular weight of 194.27 g/mol, XLogP of 2.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,6R,8R)-1,2,4,5,6,8-hexamethyl-3,7-dioxatetracyclo[3.3.0.02,4.06,8]octane is sourced from PubChem (CID 98515393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).