(1S,2R,3R,4S,5R,6S,7R,8S,9R,10S)-6,10-diiodopentacyclo[5.3.0.02,5.03,9.04,8]decane

C10H10I2 — CID 98555283

IUPAC(1S,2R,3R,4S,5R,6S,7R,8S,9R,10S)-6,10-diiodopentacyclo[5.3.0.02,5.03,9.04,8]decane
SMILESI[C@@H]1[C@H]2[C@H]3[C@@H](I)[C@H]4[C@@H]2[C@H]2[C@@H]1[C@H]3[C@H]42
InChIInChI=1S/C10H10I2/c11-9-5-1-2-4(5)8-7(9)3(1)6(2)10(8)12/h1-10H/t1-,2+,3-,4+,5-,6-,7+,8-,9+,10+/m1/s1
InChIKeyCTOZWVMTSCJSMU-HUNDITLASA-N
MW384.00 g/mol
LogP2.59
Rot. Bonds

About (1S,2R,3R,4S,5R,6S,7R,8S,9R,10S)-6,10-diiodopentacyclo[5.3.0.02,5.03,9.04,8]decane

(1S,2R,3R,4S,5R,6S,7R,8S,9R,10S)-6,10-diiodopentacyclo[5.3.0.02,5.03,9.04,8]decane (PubChem CID 98555283) has the molecular formula C10H10I2 and a molecular weight of 384.00 g/mol. Its IUPAC name is (1S,2R,3R,4S,5R,6S,7R,8S,9R,10S)-6,10-diiodopentacyclo[5.3.0.02,5.03,9.04,8]decane.

Molecular Properties

Compound Name(1S,2R,3R,4S,5R,6S,7R,8S,9R,10S)-6,10-diiodopentacyclo[5.3.0.02,5.03,9.04,8]decane
PubChem CID98555283
Molecular FormulaC10H10I2
Molecular Weight384.00 g/mol
Exact Mass383.89
IUPAC Name(1S,2R,3R,4S,5R,6S,7R,8S,9R,10S)-6,10-diiodopentacyclo[5.3.0.02,5.03,9.04,8]decane
SMILESI[C@@H]1[C@H]2[C@H]3[C@@H](I)[C@H]4[C@@H]2[C@H]2[C@@H]1[C@H]3[C@H]42
InChIInChI=1S/C10H10I2/c11-9-5-1-2-4(5)8-7(9)3(1)6(2)10(8)12/h1-10H/t1-,2+,3-,4+,5-,6-,7+,8-,9+,10+/m1/s1
InChIKeyCTOZWVMTSCJSMU-HUNDITLASA-N
XLogP2.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.00
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1S,2R,3R,4S,5R,6S,7R,8S,9R,10S)-6,10-diiodopentacyclo[5.3.0.02,5.03,9.04,8]decane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,3R,4S,5R,6S,7R,8S,9R,10S)-6,10-diiodopentacyclo[5.3.0.02,5.03,9.04,8]decane?
The IUPAC name of (1S,2R,3R,4S,5R,6S,7R,8S,9R,10S)-6,10-diiodopentacyclo[5.3.0.02,5.03,9.04,8]decane (CID 98555283) is (1S,2R,3R,4S,5R,6S,7R,8S,9R,10S)-6,10-diiodopentacyclo[5.3.0.02,5.03,9.04,8]decane.
What is the SMILES notation for (1S,2R,3R,4S,5R,6S,7R,8S,9R,10S)-6,10-diiodopentacyclo[5.3.0.02,5.03,9.04,8]decane?
The canonical SMILES for (1S,2R,3R,4S,5R,6S,7R,8S,9R,10S)-6,10-diiodopentacyclo[5.3.0.02,5.03,9.04,8]decane is I[C@@H]1[C@H]2[C@H]3[C@@H](I)[C@H]4[C@@H]2[C@H]2[C@@H]1[C@H]3[C@H]42.
What is the InChIKey of (1S,2R,3R,4S,5R,6S,7R,8S,9R,10S)-6,10-diiodopentacyclo[5.3.0.02,5.03,9.04,8]decane?
The InChIKey is CTOZWVMTSCJSMU-HUNDITLASA-N. The full InChI is InChI=1S/C10H10I2/c11-9-5-1-2-4(5)8-7(9)3(1)6(2)10(8)12/h1-10H/t1-,2+,3-,4+,5-,6-,7+,8-,9+,10+/m1/s1.
What are the key properties of (1S,2R,3R,4S,5R,6S,7R,8S,9R,10S)-6,10-diiodopentacyclo[5.3.0.02,5.03,9.04,8]decane?
(1S,2R,3R,4S,5R,6S,7R,8S,9R,10S)-6,10-diiodopentacyclo[5.3.0.02,5.03,9.04,8]decane has a molecular weight of 384.00 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3R,4S,5R,6S,7R,8S,9R,10S)-6,10-diiodopentacyclo[5.3.0.02,5.03,9.04,8]decane is sourced from PubChem (CID 98555283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).