(1R,2R,3S,4R,5R,6R,7S,8S,9S,10R)-7-iodopentacyclo[6.3.0.02,6.03,10.05,9]undecan-4-ol

C11H13IO — CID 2304080

IUPAC(1R,2R,3S,4R,5R,6R,7S,8S,9S,10R)-7-iodopentacyclo[6.3.0.02,6.03,10.05,9]undecan-4-ol
SMILESO[C@H]1[C@H]2[C@@H]3[C@@H](I)[C@H]4[C@@H]5C[C@H]([C@@H]24)[C@H]1[C@@H]53
InChIInChI=1S/C11H13IO/c12-10-6-2-1-3-4(6)9-8(10)5(2)7(3)11(9)13/h2-11,13H,1H2/t2-,3-,4-,5-,6+,7+,8-,9-,10+,11-/m1/s1
InChIKeyRXTXQWBRGIFYJK-URUBRQTFSA-N
MW288.13 g/mol
LogP1.54
Rot. Bonds

About (1R,2R,3S,4R,5R,6R,7S,8S,9S,10R)-7-iodopentacyclo[6.3.0.02,6.03,10.05,9]undecan-4-ol

(1R,2R,3S,4R,5R,6R,7S,8S,9S,10R)-7-iodopentacyclo[6.3.0.02,6.03,10.05,9]undecan-4-ol (PubChem CID 2304080) has the molecular formula C11H13IO and a molecular weight of 288.13 g/mol. Its IUPAC name is (1R,2R,3S,4R,5R,6R,7S,8S,9S,10R)-7-iodopentacyclo[6.3.0.02,6.03,10.05,9]undecan-4-ol.

Molecular Properties

Compound Name(1R,2R,3S,4R,5R,6R,7S,8S,9S,10R)-7-iodopentacyclo[6.3.0.02,6.03,10.05,9]undecan-4-ol
PubChem CID2304080
Molecular FormulaC11H13IO
Molecular Weight288.13 g/mol
Exact Mass288.00
IUPAC Name(1R,2R,3S,4R,5R,6R,7S,8S,9S,10R)-7-iodopentacyclo[6.3.0.02,6.03,10.05,9]undecan-4-ol
SMILESO[C@H]1[C@H]2[C@@H]3[C@@H](I)[C@H]4[C@@H]5C[C@H]([C@@H]24)[C@H]1[C@@H]53
InChIInChI=1S/C11H13IO/c12-10-6-2-1-3-4(6)9-8(10)5(2)7(3)11(9)13/h2-11,13H,1H2/t2-,3-,4-,5-,6+,7+,8-,9-,10+,11-/m1/s1
InChIKeyRXTXQWBRGIFYJK-URUBRQTFSA-N
XLogP1.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.13
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,2R,3S,4R,5R,6R,7S,8S,9S,10R)-7-iodopentacyclo[6.3.0.02,6.03,10.05,9]undecan-4-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S,4R,5R,6R,7S,8S,9S,10R)-7-iodopentacyclo[6.3.0.02,6.03,10.05,9]undecan-4-ol?
The IUPAC name of (1R,2R,3S,4R,5R,6R,7S,8S,9S,10R)-7-iodopentacyclo[6.3.0.02,6.03,10.05,9]undecan-4-ol (CID 2304080) is (1R,2R,3S,4R,5R,6R,7S,8S,9S,10R)-7-iodopentacyclo[6.3.0.02,6.03,10.05,9]undecan-4-ol.
What is the SMILES notation for (1R,2R,3S,4R,5R,6R,7S,8S,9S,10R)-7-iodopentacyclo[6.3.0.02,6.03,10.05,9]undecan-4-ol?
The canonical SMILES for (1R,2R,3S,4R,5R,6R,7S,8S,9S,10R)-7-iodopentacyclo[6.3.0.02,6.03,10.05,9]undecan-4-ol is O[C@H]1[C@H]2[C@@H]3[C@@H](I)[C@H]4[C@@H]5C[C@H]([C@@H]24)[C@H]1[C@@H]53.
What is the InChIKey of (1R,2R,3S,4R,5R,6R,7S,8S,9S,10R)-7-iodopentacyclo[6.3.0.02,6.03,10.05,9]undecan-4-ol?
The InChIKey is RXTXQWBRGIFYJK-URUBRQTFSA-N. The full InChI is InChI=1S/C11H13IO/c12-10-6-2-1-3-4(6)9-8(10)5(2)7(3)11(9)13/h2-11,13H,1H2/t2-,3-,4-,5-,6+,7+,8-,9-,10+,11-/m1/s1.
What are the key properties of (1R,2R,3S,4R,5R,6R,7S,8S,9S,10R)-7-iodopentacyclo[6.3.0.02,6.03,10.05,9]undecan-4-ol?
(1R,2R,3S,4R,5R,6R,7S,8S,9S,10R)-7-iodopentacyclo[6.3.0.02,6.03,10.05,9]undecan-4-ol has a molecular weight of 288.13 g/mol, XLogP of 1.54, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,4R,5R,6R,7S,8S,9S,10R)-7-iodopentacyclo[6.3.0.02,6.03,10.05,9]undecan-4-ol is sourced from PubChem (CID 2304080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).