(1R,2S,3S,6R,7R,10R)-10-iodo-7-(iodomethyl)-3-methyltricyclo[5.3.0.02,6]decan-3-ol

C12H18I2O — CID 15812678

IUPAC(1R,2S,3S,6R,7R,10R)-10-iodo-7-(iodomethyl)-3-methyltricyclo[5.3.0.02,6]decan-3-ol
SMILESC[C@]1(O)CC[C@@H]2[C@H]1[C@H]1[C@H](I)CC[C@]12CI
InChIInChI=1S/C12H18I2O/c1-11(15)4-2-7-9(11)10-8(14)3-5-12(7,10)6-13/h7-10,15H,2-6H2,1H3/t7-,8-,9+,10-,11+,12-/m1/s1
InChIKeyJAYUQMQGRZNBAG-XZPZHEHLSA-N
MW432.08 g/mol
LogP3.41
Rot. Bonds1

About (1R,2S,3S,6R,7R,10R)-10-iodo-7-(iodomethyl)-3-methyltricyclo[5.3.0.02,6]decan-3-ol

(1R,2S,3S,6R,7R,10R)-10-iodo-7-(iodomethyl)-3-methyltricyclo[5.3.0.02,6]decan-3-ol (PubChem CID 15812678) has the molecular formula C12H18I2O and a molecular weight of 432.08 g/mol. Its IUPAC name is (1R,2S,3S,6R,7R,10R)-10-iodo-7-(iodomethyl)-3-methyltricyclo[5.3.0.02,6]decan-3-ol.

Molecular Properties

Compound Name(1R,2S,3S,6R,7R,10R)-10-iodo-7-(iodomethyl)-3-methyltricyclo[5.3.0.02,6]decan-3-ol
PubChem CID15812678
Molecular FormulaC12H18I2O
Molecular Weight432.08 g/mol
Exact Mass431.94
IUPAC Name(1R,2S,3S,6R,7R,10R)-10-iodo-7-(iodomethyl)-3-methyltricyclo[5.3.0.02,6]decan-3-ol
SMILESC[C@]1(O)CC[C@@H]2[C@H]1[C@H]1[C@H](I)CC[C@]12CI
InChIInChI=1S/C12H18I2O/c1-11(15)4-2-7-9(11)10-8(14)3-5-12(7,10)6-13/h7-10,15H,2-6H2,1H3/t7-,8-,9+,10-,11+,12-/m1/s1
InChIKeyJAYUQMQGRZNBAG-XZPZHEHLSA-N
XLogP3.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.08
LogP ≤ 53.41
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'}

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Related Compounds

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(1aR,4R,4aR,7R,7aR,7bR)-1,1,4,7-tetramethyl-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulene-4,7-diol
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CID 10494901
1,4,7-trimethyl-1-(4-methylpent-3-enyl)-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulene-4,7-diol
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CID 146157343
(1aS,4aS,5R,7aR,7bS)-7b-(hydroxymethyl)-3,3,5-trimethyl-1,1a,2,4,4a,6,7,7a-octahydrocyclopropa[e]azulen-5-ol
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trans-(1R,2R)-2-tert-butyl-1-methylcyclobutan-1-ol
CID 171582108
(1aS,4R,4aS,7S,7aS,7bS)-1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-ol
CID 162940151
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CID 177471533
1,7-bis(hydroxymethyl)-1,4-dimethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-ol
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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3S,6R,7R,10R)-10-iodo-7-(iodomethyl)-3-methyltricyclo[5.3.0.02,6]decan-3-ol?
The IUPAC name of (1R,2S,3S,6R,7R,10R)-10-iodo-7-(iodomethyl)-3-methyltricyclo[5.3.0.02,6]decan-3-ol (CID 15812678) is (1R,2S,3S,6R,7R,10R)-10-iodo-7-(iodomethyl)-3-methyltricyclo[5.3.0.02,6]decan-3-ol.
What is the SMILES notation for (1R,2S,3S,6R,7R,10R)-10-iodo-7-(iodomethyl)-3-methyltricyclo[5.3.0.02,6]decan-3-ol?
The canonical SMILES for (1R,2S,3S,6R,7R,10R)-10-iodo-7-(iodomethyl)-3-methyltricyclo[5.3.0.02,6]decan-3-ol is C[C@]1(O)CC[C@@H]2[C@H]1[C@H]1[C@H](I)CC[C@]12CI.
What is the InChIKey of (1R,2S,3S,6R,7R,10R)-10-iodo-7-(iodomethyl)-3-methyltricyclo[5.3.0.02,6]decan-3-ol?
The InChIKey is JAYUQMQGRZNBAG-XZPZHEHLSA-N. The full InChI is InChI=1S/C12H18I2O/c1-11(15)4-2-7-9(11)10-8(14)3-5-12(7,10)6-13/h7-10,15H,2-6H2,1H3/t7-,8-,9+,10-,11+,12-/m1/s1.
What are the key properties of (1R,2S,3S,6R,7R,10R)-10-iodo-7-(iodomethyl)-3-methyltricyclo[5.3.0.02,6]decan-3-ol?
(1R,2S,3S,6R,7R,10R)-10-iodo-7-(iodomethyl)-3-methyltricyclo[5.3.0.02,6]decan-3-ol has a molecular weight of 432.08 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3S,6R,7R,10R)-10-iodo-7-(iodomethyl)-3-methyltricyclo[5.3.0.02,6]decan-3-ol is sourced from PubChem (CID 15812678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).