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

C11H17IO — CID 130582614

IUPAC5'-(iodomethyl)spiro[bicyclo[4.1.0]heptane-2,2'-oxolane]
SMILESICC1CCC2(CCCC3CC32)O1
InChIInChI=1S/C11H17IO/c12-7-9-3-5-11(13-9)4-1-2-8-6-10(8)11/h8-10H,1-7H2
InChIKeyKMRGESSJTUUMHJ-UHFFFAOYSA-N
MW292.16 g/mol
LogP3.16
Rot. Bonds1

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

5'-(iodomethyl)spiro[bicyclo[4.1.0]heptane-2,2'-oxolane] (PubChem CID 130582614) has the molecular formula C11H17IO and a molecular weight of 292.16 g/mol. Its IUPAC name is 5'-(iodomethyl)spiro[bicyclo[4.1.0]heptane-2,2'-oxolane].

Molecular Properties

Compound Name5'-(iodomethyl)spiro[bicyclo[4.1.0]heptane-2,2'-oxolane]
PubChem CID130582614
Molecular FormulaC11H17IO
Molecular Weight292.16 g/mol
Exact Mass292.03
IUPAC Name5'-(iodomethyl)spiro[bicyclo[4.1.0]heptane-2,2'-oxolane]
SMILESICC1CCC2(CCCC3CC32)O1
InChIInChI=1S/C11H17IO/c12-7-9-3-5-11(13-9)4-1-2-8-6-10(8)11/h8-10H,1-7H2
InChIKeyKMRGESSJTUUMHJ-UHFFFAOYSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.16
LogP ≤ 53.16
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)-5'-methylspiro[bicyclo[4.1.0]heptane-2,2'-oxolane]
CID 130583136
(2R)-2,9-bis(iodomethyl)-1,10-dioxaspiro[4.5]decane
CID 135041897
2-cyclopropyl-6-(iodomethyl)-2-methyloxane
CID 130582963
spiro[bicyclo[4.1.0]heptane-2,1'-cyclopentane]
CID 140625385
2-(iodomethyl)-1,7-dioxaspiro[4.4]nonane
CID 130582607
(1R,6S)-2,2-difluorobicyclo[4.1.0]heptane
CID 163491628
2-(iodomethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 13487203
(2R,3aS,7aR)-2-(iodomethyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran
CID 101260923
2-(iodomethyl)-1-oxaspiro[2.6]nonane
CID 10400676
5-(iodomethyl)-2-methyl-2-(2-methylpropyl)oxolane
CID 130582685
2-(iodomethyl)-7,9-dimethyl-1,8-dioxaspiro[4.5]decane
CID 130582587
(2S,5R,6R)-2-(hydroxymethyl)-1-oxaspiro[4.5]decan-6-ol
CID 101238340

Frequently Asked Questions

What is the IUPAC name of 5'-(iodomethyl)spiro[bicyclo[4.1.0]heptane-2,2'-oxolane]?
The IUPAC name of 5'-(iodomethyl)spiro[bicyclo[4.1.0]heptane-2,2'-oxolane] (CID 130582614) is 5'-(iodomethyl)spiro[bicyclo[4.1.0]heptane-2,2'-oxolane].
What is the SMILES notation for 5'-(iodomethyl)spiro[bicyclo[4.1.0]heptane-2,2'-oxolane]?
The canonical SMILES for 5'-(iodomethyl)spiro[bicyclo[4.1.0]heptane-2,2'-oxolane] is ICC1CCC2(CCCC3CC32)O1.
What is the InChIKey of 5'-(iodomethyl)spiro[bicyclo[4.1.0]heptane-2,2'-oxolane]?
The InChIKey is KMRGESSJTUUMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17IO/c12-7-9-3-5-11(13-9)4-1-2-8-6-10(8)11/h8-10H,1-7H2.
What are the key properties of 5'-(iodomethyl)spiro[bicyclo[4.1.0]heptane-2,2'-oxolane]?
5'-(iodomethyl)spiro[bicyclo[4.1.0]heptane-2,2'-oxolane] has a molecular weight of 292.16 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-(iodomethyl)spiro[bicyclo[4.1.0]heptane-2,2'-oxolane] is sourced from PubChem (CID 130582614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).