(1S,2R,4R,7R)-1,7-bis(iodomethyl)-7-methylbicyclo[2.2.1]heptan-2-ol

C10H16I2O — CID 11090784

IUPAC(1S,2R,4R,7R)-1,7-bis(iodomethyl)-7-methylbicyclo[2.2.1]heptan-2-ol
SMILESC[C@@]1(CI)[C@@H]2CC[C@@]1(CI)[C@H](O)C2
InChIInChI=1S/C10H16I2O/c1-9(5-11)7-2-3-10(9,6-12)8(13)4-7/h7-8,13H,2-6H2,1H3/t7-,8-,9-,10-/m1/s1
InChIKeyLMCIADVTJLWOCM-ZYUZMQFOSA-N
MW406.05 g/mol
LogP3.02
Rot. Bonds2

About (1S,2R,4R,7R)-1,7-bis(iodomethyl)-7-methylbicyclo[2.2.1]heptan-2-ol

(1S,2R,4R,7R)-1,7-bis(iodomethyl)-7-methylbicyclo[2.2.1]heptan-2-ol (PubChem CID 11090784) has the molecular formula C10H16I2O and a molecular weight of 406.05 g/mol. Its IUPAC name is (1S,2R,4R,7R)-1,7-bis(iodomethyl)-7-methylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name(1S,2R,4R,7R)-1,7-bis(iodomethyl)-7-methylbicyclo[2.2.1]heptan-2-ol
PubChem CID11090784
Molecular FormulaC10H16I2O
Molecular Weight406.05 g/mol
Exact Mass405.93
IUPAC Name(1S,2R,4R,7R)-1,7-bis(iodomethyl)-7-methylbicyclo[2.2.1]heptan-2-ol
SMILESC[C@@]1(CI)[C@@H]2CC[C@@]1(CI)[C@H](O)C2
InChIInChI=1S/C10H16I2O/c1-9(5-11)7-2-3-10(9,6-12)8(13)4-7/h7-8,13H,2-6H2,1H3/t7-,8-,9-,10-/m1/s1
InChIKeyLMCIADVTJLWOCM-ZYUZMQFOSA-N
XLogP3.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.05
LogP ≤ 53.02
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

(1R,2S,4R)-1-(hydroxymethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
CID 14593278
(1R,2R)-7,7-dimethyl-1-(sulfanylmethyl)bicyclo[2.2.1]heptan-2-ol
CID 131173336
(1S,2S,4S,7S)-7-(fluoromethyl)-1,7-dimethylbicyclo[2.2.1]heptan-2-ol
CID 129433767
[(1R,2S,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid
CID 174646583
[(1S,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid
CID 142707993
(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonic acid;1-(iodomethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
CID 158272056
methyl (Z)-3-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methylsulfonyl]prop-2-enoate
CID 23254199
(E)-3-[[(1R,2S,4S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methylselanyl]prop-2-enoic acid
CID 100922161
silver;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174528917
1-ethyl-5,5-dimethylbicyclo[2.1.1]hexan-2-ol
CID 163889963
hydron;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174883808
azane;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174585091

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4R,7R)-1,7-bis(iodomethyl)-7-methylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of (1S,2R,4R,7R)-1,7-bis(iodomethyl)-7-methylbicyclo[2.2.1]heptan-2-ol (CID 11090784) is (1S,2R,4R,7R)-1,7-bis(iodomethyl)-7-methylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for (1S,2R,4R,7R)-1,7-bis(iodomethyl)-7-methylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for (1S,2R,4R,7R)-1,7-bis(iodomethyl)-7-methylbicyclo[2.2.1]heptan-2-ol is C[C@@]1(CI)[C@@H]2CC[C@@]1(CI)[C@H](O)C2.
What is the InChIKey of (1S,2R,4R,7R)-1,7-bis(iodomethyl)-7-methylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is LMCIADVTJLWOCM-ZYUZMQFOSA-N. The full InChI is InChI=1S/C10H16I2O/c1-9(5-11)7-2-3-10(9,6-12)8(13)4-7/h7-8,13H,2-6H2,1H3/t7-,8-,9-,10-/m1/s1.
What are the key properties of (1S,2R,4R,7R)-1,7-bis(iodomethyl)-7-methylbicyclo[2.2.1]heptan-2-ol?
(1S,2R,4R,7R)-1,7-bis(iodomethyl)-7-methylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 406.05 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4R,7R)-1,7-bis(iodomethyl)-7-methylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 11090784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).