5'-(iodomethyl)-5'-methylspiro[bicyclo[4.1.0]heptane-2,2'-oxolane]

C12H19IO — CID 130583136

IUPAC5'-(iodomethyl)-5'-methylspiro[bicyclo[4.1.0]heptane-2,2'-oxolane]
SMILESCC1(CI)CCC2(CCCC3CC32)O1
InChIInChI=1S/C12H19IO/c1-11(8-13)5-6-12(14-11)4-2-3-9-7-10(9)12/h9-10H,2-8H2,1H3
InChIKeyOMTXOQKIGVJTPL-UHFFFAOYSA-N
MW306.19 g/mol
LogP3.55
Rot. Bonds1

About 5'-(iodomethyl)-5'-methylspiro[bicyclo[4.1.0]heptane-2,2'-oxolane]

5'-(iodomethyl)-5'-methylspiro[bicyclo[4.1.0]heptane-2,2'-oxolane] (PubChem CID 130583136) has the molecular formula C12H19IO and a molecular weight of 306.19 g/mol. Its IUPAC name is 5'-(iodomethyl)-5'-methylspiro[bicyclo[4.1.0]heptane-2,2'-oxolane].

Molecular Properties

Compound Name5'-(iodomethyl)-5'-methylspiro[bicyclo[4.1.0]heptane-2,2'-oxolane]
PubChem CID130583136
Molecular FormulaC12H19IO
Molecular Weight306.19 g/mol
Exact Mass306.05
IUPAC Name5'-(iodomethyl)-5'-methylspiro[bicyclo[4.1.0]heptane-2,2'-oxolane]
SMILESCC1(CI)CCC2(CCCC3CC32)O1
InChIInChI=1S/C12H19IO/c1-11(8-13)5-6-12(14-11)4-2-3-9-7-10(9)12/h9-10H,2-8H2,1H3
InChIKeyOMTXOQKIGVJTPL-UHFFFAOYSA-N
XLogP3.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 53.55
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

5'-(iodomethyl)spiro[bicyclo[4.1.0]heptane-2,2'-oxolane]
CID 130582614
2-cyclopentyl-5-(iodomethyl)-2,5-dimethyloxolane
CID 130583379
2-cyclobutyl-2-ethyl-5-(iodomethyl)-5-methyloxolane
CID 130688476
(1R,2S,6R)-2-methylbicyclo[4.1.0]heptan-2-ol
CID 98172819
spiro[bicyclo[4.1.0]heptane-2,1'-cyclopentane]
CID 140625385
2,9-dimethyl-1-oxaspiro[4.4]nonane-2-carbaldehyde
CID 130584870
(1R,6S)-2,2-difluorobicyclo[4.1.0]heptane
CID 163491628
(2R,6S)-2-methyltricyclo[5.2.1.02,6]decane
CID 58931798
2-(1-aminobutan-2-yl)bicyclo[4.1.0]heptan-2-ol
CID 130526368
(2,6-dimethyl-1,7-dioxaspiro[4.4]nonan-2-yl)methanamine
CID 130583877
2-[5-(iodomethyl)-2,5-dimethyloxolan-2-yl]pyridine
CID 130583573
2-(hydroxymethyl)bicyclo[4.1.0]heptane-2-carboxylic acid
CID 167305094

Frequently Asked Questions

What is the IUPAC name of 5'-(iodomethyl)-5'-methylspiro[bicyclo[4.1.0]heptane-2,2'-oxolane]?
The IUPAC name of 5'-(iodomethyl)-5'-methylspiro[bicyclo[4.1.0]heptane-2,2'-oxolane] (CID 130583136) is 5'-(iodomethyl)-5'-methylspiro[bicyclo[4.1.0]heptane-2,2'-oxolane].
What is the SMILES notation for 5'-(iodomethyl)-5'-methylspiro[bicyclo[4.1.0]heptane-2,2'-oxolane]?
The canonical SMILES for 5'-(iodomethyl)-5'-methylspiro[bicyclo[4.1.0]heptane-2,2'-oxolane] is CC1(CI)CCC2(CCCC3CC32)O1.
What is the InChIKey of 5'-(iodomethyl)-5'-methylspiro[bicyclo[4.1.0]heptane-2,2'-oxolane]?
The InChIKey is OMTXOQKIGVJTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19IO/c1-11(8-13)5-6-12(14-11)4-2-3-9-7-10(9)12/h9-10H,2-8H2,1H3.
What are the key properties of 5'-(iodomethyl)-5'-methylspiro[bicyclo[4.1.0]heptane-2,2'-oxolane]?
5'-(iodomethyl)-5'-methylspiro[bicyclo[4.1.0]heptane-2,2'-oxolane] has a molecular weight of 306.19 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-(iodomethyl)-5'-methylspiro[bicyclo[4.1.0]heptane-2,2'-oxolane] is sourced from PubChem (CID 130583136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).