2-cyclobutyloxy-2-(iodomethyl)-3,3-dimethylbicyclo[2.2.1]heptane

C14H23IO — CID 114773933

IUPAC2-cyclobutyloxy-2-(iodomethyl)-3,3-dimethylbicyclo[2.2.1]heptane
SMILESCC1(C)C2CCC(C2)C1(CI)OC1CCC1
InChIInChI=1S/C14H23IO/c1-13(2)10-6-7-11(8-10)14(13,9-15)16-12-4-3-5-12/h10-12H,3-9H2,1-2H3
InChIKeyGFWLAXQJDHTRMZ-UHFFFAOYSA-N
MW334.24 g/mol
LogP4.19
Rot. Bonds3

About 2-cyclobutyloxy-2-(iodomethyl)-3,3-dimethylbicyclo[2.2.1]heptane

2-cyclobutyloxy-2-(iodomethyl)-3,3-dimethylbicyclo[2.2.1]heptane (PubChem CID 114773933) has the molecular formula C14H23IO and a molecular weight of 334.24 g/mol. Its IUPAC name is 2-cyclobutyloxy-2-(iodomethyl)-3,3-dimethylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-cyclobutyloxy-2-(iodomethyl)-3,3-dimethylbicyclo[2.2.1]heptane
PubChem CID114773933
Molecular FormulaC14H23IO
Molecular Weight334.24 g/mol
Exact Mass334.08
IUPAC Name2-cyclobutyloxy-2-(iodomethyl)-3,3-dimethylbicyclo[2.2.1]heptane
SMILESCC1(C)C2CCC(C2)C1(CI)OC1CCC1
InChIInChI=1S/C14H23IO/c1-13(2)10-6-7-11(8-10)14(13,9-15)16-12-4-3-5-12/h10-12H,3-9H2,1-2H3
InChIKeyGFWLAXQJDHTRMZ-UHFFFAOYSA-N
XLogP4.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 54.19
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'}

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Related Compounds

2-(bromomethyl)-3,3-dimethyl-2-(3,3,5-trimethylcyclohexyl)oxybicyclo[2.2.1]heptane
CID 114773325
2-(bromomethyl)-3,3-dimethyl-2-(1,1,1-trifluoropropan-2-yloxy)bicyclo[2.2.1]heptane
CID 114774562
(1R,5R)-6,6-dimethylbicyclo[3.1.1]heptane
CID 91146278
1-(iodomethyl)-3-methyl-1-(3-methylcyclohexyl)oxycyclohexane
CID 114773602
3'-ethyl-2,2,3'-trimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]
CID 139233763
1-cyclobutyloxy-1-cyclopropylcyclopentane
CID 141221931
(1S,2R,4R)-2-(hydroxymethyl)-3,3-dimethylbicyclo[2.2.1]heptan-2-ol
CID 11008359
2,2,3,3-tetramethylbicyclo[2.1.1]hexane
CID 123143747
1-cyclohexyloxy-1-methylcyclohexane
CID 57243949
1,3-bis(2-methylpropoxy)cyclohexane
CID 142724775
1-cyclohexyloxy-2,2,3-trimethylcyclohexan-1-ol
CID 172711110
4-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol
CID 72785049

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyloxy-2-(iodomethyl)-3,3-dimethylbicyclo[2.2.1]heptane?
The IUPAC name of 2-cyclobutyloxy-2-(iodomethyl)-3,3-dimethylbicyclo[2.2.1]heptane (CID 114773933) is 2-cyclobutyloxy-2-(iodomethyl)-3,3-dimethylbicyclo[2.2.1]heptane.
What is the SMILES notation for 2-cyclobutyloxy-2-(iodomethyl)-3,3-dimethylbicyclo[2.2.1]heptane?
The canonical SMILES for 2-cyclobutyloxy-2-(iodomethyl)-3,3-dimethylbicyclo[2.2.1]heptane is CC1(C)C2CCC(C2)C1(CI)OC1CCC1.
What is the InChIKey of 2-cyclobutyloxy-2-(iodomethyl)-3,3-dimethylbicyclo[2.2.1]heptane?
The InChIKey is GFWLAXQJDHTRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23IO/c1-13(2)10-6-7-11(8-10)14(13,9-15)16-12-4-3-5-12/h10-12H,3-9H2,1-2H3.
What are the key properties of 2-cyclobutyloxy-2-(iodomethyl)-3,3-dimethylbicyclo[2.2.1]heptane?
2-cyclobutyloxy-2-(iodomethyl)-3,3-dimethylbicyclo[2.2.1]heptane has a molecular weight of 334.24 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyloxy-2-(iodomethyl)-3,3-dimethylbicyclo[2.2.1]heptane is sourced from PubChem (CID 114773933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).