7-(iodomethyl)-4,7-dimethyl-6-oxabicyclo[3.2.1]oct-3-ene

C10H15IO — CID 13220762

IUPAC7-(iodomethyl)-4,7-dimethyl-6-oxabicyclo[3.2.1]oct-3-ene
SMILESCC1=CCC2CC1OC2(C)CI
InChIInChI=1S/C10H15IO/c1-7-3-4-8-5-9(7)12-10(8,2)6-11/h3,8-9H,4-6H2,1-2H3
InChIKeyPPNAJXPECPQLPF-UHFFFAOYSA-N
MW278.13 g/mol
LogP2.94
Rot. Bonds1

About 7-(iodomethyl)-4,7-dimethyl-6-oxabicyclo[3.2.1]oct-3-ene

7-(iodomethyl)-4,7-dimethyl-6-oxabicyclo[3.2.1]oct-3-ene (PubChem CID 13220762) has the molecular formula C10H15IO and a molecular weight of 278.13 g/mol. Its IUPAC name is 7-(iodomethyl)-4,7-dimethyl-6-oxabicyclo[3.2.1]oct-3-ene.

Molecular Properties

Compound Name7-(iodomethyl)-4,7-dimethyl-6-oxabicyclo[3.2.1]oct-3-ene
PubChem CID13220762
Molecular FormulaC10H15IO
Molecular Weight278.13 g/mol
Exact Mass278.02
IUPAC Name7-(iodomethyl)-4,7-dimethyl-6-oxabicyclo[3.2.1]oct-3-ene
SMILESCC1=CCC2CC1OC2(C)CI
InChIInChI=1S/C10H15IO/c1-7-3-4-8-5-9(7)12-10(8,2)6-11/h3,8-9H,4-6H2,1-2H3
InChIKeyPPNAJXPECPQLPF-UHFFFAOYSA-N
XLogP2.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.13
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(7R)-7-(bromomethyl)-4,7-dimethyl-6-oxabicyclo[3.2.1]oct-3-ene
CID 134964195
4,11,11-trimethyl-8-methylidene-10-oxatricyclo[7.2.1.03,7]dodec-4-ene
CID 73189547
(1R,4S,5R)-2,2,6-trimethyl-4-propyl-3-oxabicyclo[3.3.1]non-6-ene
CID 7077774
[(1R,5R,6R)-2,6-dimethyl-6-bicyclo[3.1.1]hept-2-enyl]methanol
CID 12600906
4-[(1S,2R,5S)-4,4,8-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol
CID 15942662
4-[(1R,2R,5R)-4,4,8-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol
CID 927532
4-(4-methoxyphenyl)-2,2,6-trimethyl-3-oxabicyclo[3.3.1]non-6-ene
CID 86193191
1-[(1R,5R,6R)-2-methyl-8-oxabicyclo[3.2.1]oct-2-en-6-yl]ethanone
CID 100983634
tetrakis((6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methanol);titanium
CID 177408471
(1S)-2,6-dimethyl-2-(3-methylbut-2-enyl)-4-(4-methylphenyl)-3-oxabicyclo[3.3.1]non-6-ene;(1S)-2-methyl-2-(3-methylbut-2-enyl)-6-methylidene-4-(4-methylphenyl)-3-oxabicyclo[3.3.1]nonane
CID 131664903
(E)-5-[(1S,5S,6R)-2,6-dimethyl-6-bicyclo[3.1.1]hept-2-enyl]-2-methylpent-2-enal
CID 91747476
styrene;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene
CID 18955825

Frequently Asked Questions

What is the IUPAC name of 7-(iodomethyl)-4,7-dimethyl-6-oxabicyclo[3.2.1]oct-3-ene?
The IUPAC name of 7-(iodomethyl)-4,7-dimethyl-6-oxabicyclo[3.2.1]oct-3-ene (CID 13220762) is 7-(iodomethyl)-4,7-dimethyl-6-oxabicyclo[3.2.1]oct-3-ene.
What is the SMILES notation for 7-(iodomethyl)-4,7-dimethyl-6-oxabicyclo[3.2.1]oct-3-ene?
The canonical SMILES for 7-(iodomethyl)-4,7-dimethyl-6-oxabicyclo[3.2.1]oct-3-ene is CC1=CCC2CC1OC2(C)CI.
What is the InChIKey of 7-(iodomethyl)-4,7-dimethyl-6-oxabicyclo[3.2.1]oct-3-ene?
The InChIKey is PPNAJXPECPQLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IO/c1-7-3-4-8-5-9(7)12-10(8,2)6-11/h3,8-9H,4-6H2,1-2H3.
What are the key properties of 7-(iodomethyl)-4,7-dimethyl-6-oxabicyclo[3.2.1]oct-3-ene?
7-(iodomethyl)-4,7-dimethyl-6-oxabicyclo[3.2.1]oct-3-ene has a molecular weight of 278.13 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(iodomethyl)-4,7-dimethyl-6-oxabicyclo[3.2.1]oct-3-ene is sourced from PubChem (CID 13220762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).