(2R,6S,7R)-7-(iodomethyl)-1,7-dimethyltricyclo[2.2.1.02,6]heptane

C10H15I — CID 97289307

IUPAC(2R,6S,7R)-7-(iodomethyl)-1,7-dimethyltricyclo[2.2.1.02,6]heptane
SMILESCC12[C@@H]3CC(C[C@@H]31)[C@@]2(C)CI
InChIInChI=1S/C10H15I/c1-9(5-11)6-3-7-8(4-6)10(7,9)2/h6-8H,3-5H2,1-2H3/t6?,7-,8+,9-,10?/m1/s1
InChIKeyRJDHYCCOLQYKMF-XSJBAMTNSA-N
MW262.13 g/mol
LogP3.10
Rot. Bonds1

About (2R,6S,7R)-7-(iodomethyl)-1,7-dimethyltricyclo[2.2.1.02,6]heptane

(2R,6S,7R)-7-(iodomethyl)-1,7-dimethyltricyclo[2.2.1.02,6]heptane (PubChem CID 97289307) has the molecular formula C10H15I and a molecular weight of 262.13 g/mol. Its IUPAC name is (2R,6S,7R)-7-(iodomethyl)-1,7-dimethyltricyclo[2.2.1.02,6]heptane.

Molecular Properties

Compound Name(2R,6S,7R)-7-(iodomethyl)-1,7-dimethyltricyclo[2.2.1.02,6]heptane
PubChem CID97289307
Molecular FormulaC10H15I
Molecular Weight262.13 g/mol
Exact Mass262.02
IUPAC Name(2R,6S,7R)-7-(iodomethyl)-1,7-dimethyltricyclo[2.2.1.02,6]heptane
SMILESCC12[C@@H]3CC(C[C@@H]31)[C@@]2(C)CI
InChIInChI=1S/C10H15I/c1-9(5-11)6-3-7-8(4-6)10(7,9)2/h6-8H,3-5H2,1-2H3/t6?,7-,8+,9-,10?/m1/s1
InChIKeyRJDHYCCOLQYKMF-XSJBAMTNSA-N
XLogP3.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.13
LogP ≤ 53.10
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'}

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Related Compounds

3-[(1S,3R,6S)-2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl]propanal
CID 23228573
3-[2-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)ethyl]-2,2-dimethyloxirane
CID 15433328
5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpentan-1-ol
CID 14345658
(6R,7R)-1,7-dimethyl-7-(4-methylpent-3-enyl)tricyclo[2.2.1.02,6]heptane
CID 56928116
1,7-dimethyl-7-(4-methylpent-4-enyl)tricyclo[2.2.1.02,6]heptane
CID 57227275
(2R,6S,7R)-1,7-dimethyl-7-(2-methylprop-1-enoxymethyl)tricyclo[2.2.1.02,6]heptane
CID 98125613
1,7-dimethyl-7-(2-methylprop-1-enoxymethyl)tricyclo[2.2.1.02,6]heptane
CID 84820832
(E)-5-[(3S)-2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl]-2-methylpent-2-en-1-ol
CID 175773701
(E)-5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpent-3-en-2-ol
CID 5318339
[(1R,2S)-2-[2-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)ethyl]-1-methylcyclopropyl]methanol
CID 67159508
2,3-dimethyltricyclo[2.2.1.02,6]heptan-3-ol
CID 57351268
(1S,2R,4R,7R)-1,7-bis(iodomethyl)-7-methylbicyclo[2.2.1]heptan-2-ol
CID 11090784

Frequently Asked Questions

What is the IUPAC name of (2R,6S,7R)-7-(iodomethyl)-1,7-dimethyltricyclo[2.2.1.02,6]heptane?
The IUPAC name of (2R,6S,7R)-7-(iodomethyl)-1,7-dimethyltricyclo[2.2.1.02,6]heptane (CID 97289307) is (2R,6S,7R)-7-(iodomethyl)-1,7-dimethyltricyclo[2.2.1.02,6]heptane.
What is the SMILES notation for (2R,6S,7R)-7-(iodomethyl)-1,7-dimethyltricyclo[2.2.1.02,6]heptane?
The canonical SMILES for (2R,6S,7R)-7-(iodomethyl)-1,7-dimethyltricyclo[2.2.1.02,6]heptane is CC12[C@@H]3CC(C[C@@H]31)[C@@]2(C)CI.
What is the InChIKey of (2R,6S,7R)-7-(iodomethyl)-1,7-dimethyltricyclo[2.2.1.02,6]heptane?
The InChIKey is RJDHYCCOLQYKMF-XSJBAMTNSA-N. The full InChI is InChI=1S/C10H15I/c1-9(5-11)6-3-7-8(4-6)10(7,9)2/h6-8H,3-5H2,1-2H3/t6?,7-,8+,9-,10?/m1/s1.
What are the key properties of (2R,6S,7R)-7-(iodomethyl)-1,7-dimethyltricyclo[2.2.1.02,6]heptane?
(2R,6S,7R)-7-(iodomethyl)-1,7-dimethyltricyclo[2.2.1.02,6]heptane has a molecular weight of 262.13 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S,7R)-7-(iodomethyl)-1,7-dimethyltricyclo[2.2.1.02,6]heptane is sourced from PubChem (CID 97289307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).