(1R,2R,6R,9S,10R)-10-(iodomethyl)-4,4-dimethyl-3,5,8,12-tetraoxatricyclo[7.3.0.02,6]dodecane

C11H17IO4 — CID 162786690

IUPAC(1R,2R,6R,9S,10R)-10-(iodomethyl)-4,4-dimethyl-3,5,8,12-tetraoxatricyclo[7.3.0.02,6]dodecane
SMILESCC1(C)O[C@H]2[C@@H]3OC[C@@H](CI)[C@@H]3OC[C@H]2O1
InChIInChI=1S/C11H17IO4/c1-11(2)15-7-5-14-8-6(3-12)4-13-10(8)9(7)16-11/h6-10H,3-5H2,1-2H3/t6-,7-,8+,9-,10-/m1/s1
InChIKeyCLRDLUATDXAMLZ-HOTMZDKISA-N
MW340.16 g/mol
LogP1.36
Rot. Bonds1

About (1R,2R,6R,9S,10R)-10-(iodomethyl)-4,4-dimethyl-3,5,8,12-tetraoxatricyclo[7.3.0.02,6]dodecane

(1R,2R,6R,9S,10R)-10-(iodomethyl)-4,4-dimethyl-3,5,8,12-tetraoxatricyclo[7.3.0.02,6]dodecane (PubChem CID 162786690) has the molecular formula C11H17IO4 and a molecular weight of 340.16 g/mol. Its IUPAC name is (1R,2R,6R,9S,10R)-10-(iodomethyl)-4,4-dimethyl-3,5,8,12-tetraoxatricyclo[7.3.0.02,6]dodecane.

Molecular Properties

Compound Name(1R,2R,6R,9S,10R)-10-(iodomethyl)-4,4-dimethyl-3,5,8,12-tetraoxatricyclo[7.3.0.02,6]dodecane
PubChem CID162786690
Molecular FormulaC11H17IO4
Molecular Weight340.16 g/mol
Exact Mass340.02
IUPAC Name(1R,2R,6R,9S,10R)-10-(iodomethyl)-4,4-dimethyl-3,5,8,12-tetraoxatricyclo[7.3.0.02,6]dodecane
SMILESCC1(C)O[C@H]2[C@@H]3OC[C@@H](CI)[C@@H]3OC[C@H]2O1
InChIInChI=1S/C11H17IO4/c1-11(2)15-7-5-14-8-6(3-12)4-13-10(8)9(7)16-11/h6-10H,3-5H2,1-2H3/t6-,7-,8+,9-,10-/m1/s1
InChIKeyCLRDLUATDXAMLZ-HOTMZDKISA-N
XLogP1.36
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.16
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,6R,9S,10R)-10-(iodomethyl)-4,4-dimethyl-3,5,8,12-tetraoxatricyclo[7.3.0.02,6]dodecane?
The IUPAC name of (1R,2R,6R,9S,10R)-10-(iodomethyl)-4,4-dimethyl-3,5,8,12-tetraoxatricyclo[7.3.0.02,6]dodecane (CID 162786690) is (1R,2R,6R,9S,10R)-10-(iodomethyl)-4,4-dimethyl-3,5,8,12-tetraoxatricyclo[7.3.0.02,6]dodecane.
What is the SMILES notation for (1R,2R,6R,9S,10R)-10-(iodomethyl)-4,4-dimethyl-3,5,8,12-tetraoxatricyclo[7.3.0.02,6]dodecane?
The canonical SMILES for (1R,2R,6R,9S,10R)-10-(iodomethyl)-4,4-dimethyl-3,5,8,12-tetraoxatricyclo[7.3.0.02,6]dodecane is CC1(C)O[C@H]2[C@@H]3OC[C@@H](CI)[C@@H]3OC[C@H]2O1.
What is the InChIKey of (1R,2R,6R,9S,10R)-10-(iodomethyl)-4,4-dimethyl-3,5,8,12-tetraoxatricyclo[7.3.0.02,6]dodecane?
The InChIKey is CLRDLUATDXAMLZ-HOTMZDKISA-N. The full InChI is InChI=1S/C11H17IO4/c1-11(2)15-7-5-14-8-6(3-12)4-13-10(8)9(7)16-11/h6-10H,3-5H2,1-2H3/t6-,7-,8+,9-,10-/m1/s1.
What are the key properties of (1R,2R,6R,9S,10R)-10-(iodomethyl)-4,4-dimethyl-3,5,8,12-tetraoxatricyclo[7.3.0.02,6]dodecane?
(1R,2R,6R,9S,10R)-10-(iodomethyl)-4,4-dimethyl-3,5,8,12-tetraoxatricyclo[7.3.0.02,6]dodecane has a molecular weight of 340.16 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6R,9S,10R)-10-(iodomethyl)-4,4-dimethyl-3,5,8,12-tetraoxatricyclo[7.3.0.02,6]dodecane is sourced from PubChem (CID 162786690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).