(6R)-1-(1-iodoethoxy)tricyclo[4.3.1.13,8]undecane

C13H21IO — CID 126641157

IUPAC(6R)-1-(1-iodoethoxy)tricyclo[4.3.1.13,8]undecane
SMILESCC(I)OC12CC3CC[C@H](CC(C3)C1)C2
InChIInChI=1S/C13H21IO/c1-9(14)15-13-6-10-2-3-11(7-13)5-12(4-10)8-13/h9-12H,2-8H2,1H3/t9?,10-,11?,12?,13?/m1/s1
InChIKeyNRRNDYNZHPUOGT-TZESXAPASA-N
MW320.21 g/mol
LogP4.14
Rot. Bonds2

About (6R)-1-(1-iodoethoxy)tricyclo[4.3.1.13,8]undecane

(6R)-1-(1-iodoethoxy)tricyclo[4.3.1.13,8]undecane (PubChem CID 126641157) has the molecular formula C13H21IO and a molecular weight of 320.21 g/mol. Its IUPAC name is (6R)-1-(1-iodoethoxy)tricyclo[4.3.1.13,8]undecane.

Molecular Properties

Compound Name(6R)-1-(1-iodoethoxy)tricyclo[4.3.1.13,8]undecane
PubChem CID126641157
Molecular FormulaC13H21IO
Molecular Weight320.21 g/mol
Exact Mass320.06
IUPAC Name(6R)-1-(1-iodoethoxy)tricyclo[4.3.1.13,8]undecane
SMILESCC(I)OC12CC3CC[C@H](CC(C3)C1)C2
InChIInChI=1S/C13H21IO/c1-9(14)15-13-6-10-2-3-11(7-13)5-12(4-10)8-13/h9-12H,2-8H2,1H3/t9?,10-,11?,12?,13?/m1/s1
InChIKeyNRRNDYNZHPUOGT-TZESXAPASA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (6R)-1-(1-iodoethoxy)tricyclo[4.3.1.13,8]undecane?
The IUPAC name of (6R)-1-(1-iodoethoxy)tricyclo[4.3.1.13,8]undecane (CID 126641157) is (6R)-1-(1-iodoethoxy)tricyclo[4.3.1.13,8]undecane.
What is the SMILES notation for (6R)-1-(1-iodoethoxy)tricyclo[4.3.1.13,8]undecane?
The canonical SMILES for (6R)-1-(1-iodoethoxy)tricyclo[4.3.1.13,8]undecane is CC(I)OC12CC3CC[C@H](CC(C3)C1)C2.
What is the InChIKey of (6R)-1-(1-iodoethoxy)tricyclo[4.3.1.13,8]undecane?
The InChIKey is NRRNDYNZHPUOGT-TZESXAPASA-N. The full InChI is InChI=1S/C13H21IO/c1-9(14)15-13-6-10-2-3-11(7-13)5-12(4-10)8-13/h9-12H,2-8H2,1H3/t9?,10-,11?,12?,13?/m1/s1.
What are the key properties of (6R)-1-(1-iodoethoxy)tricyclo[4.3.1.13,8]undecane?
(6R)-1-(1-iodoethoxy)tricyclo[4.3.1.13,8]undecane has a molecular weight of 320.21 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-(1-iodoethoxy)tricyclo[4.3.1.13,8]undecane is sourced from PubChem (CID 126641157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).