8-iodo-1,4-dioxaspiro[4.5]decane

C8H13IO2 — CID 11021879

IUPAC8-iodo-1,4-dioxaspiro[4.5]decane
SMILESIC1CCC2(CC1)OCCO2
InChIInChI=1S/C8H13IO2/c9-7-1-3-8(4-2-7)10-5-6-11-8/h7H,1-6H2
InChIKeyDMVFMHBEQNPBKC-UHFFFAOYSA-N
MW268.09 g/mol
LogP2.11
Rot. Bonds

About 8-iodo-1,4-dioxaspiro[4.5]decane

8-iodo-1,4-dioxaspiro[4.5]decane (PubChem CID 11021879) has the molecular formula C8H13IO2 and a molecular weight of 268.09 g/mol. Its IUPAC name is 8-iodo-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-iodo-1,4-dioxaspiro[4.5]decane
PubChem CID11021879
Molecular FormulaC8H13IO2
Molecular Weight268.09 g/mol
Exact Mass268.00
IUPAC Name8-iodo-1,4-dioxaspiro[4.5]decane
SMILESIC1CCC2(CC1)OCCO2
InChIInChI=1S/C8H13IO2/c9-7-1-3-8(4-2-7)10-5-6-11-8/h7H,1-6H2
InChIKeyDMVFMHBEQNPBKC-UHFFFAOYSA-N
XLogP2.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.09
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4-Dioxaspiro(4.5)decane
CID 9093
6-Fluoro-1,4-dioxaspiro[4.5]decane
CID 13215123
(6S)-6-fluoro-1,4-dioxaspiro[4.5]decane
CID 15939463
8-Fluoro-1,4-dioxaspiro[4.5]decane
CID 56605200
6-Iodo-1,4-dioxaspiro[4.5]decane
CID 13331253
(4R)-4-(4-iodobutyl)-2,2-dimethyl-1,3-dioxolane
CID 11129797
2-(5-Iodopentyl)-2-methyl-1,3-dioxolane
CID 11300584
3-(3-Iodoprop-2-ynoxymethyl)-1,4-dioxaspiro[4.5]decane
CID 17993777
3-[Iodo(prop-2-ynoxy)methyl]-1,4-dioxaspiro[4.5]decane
CID 20028677
CID 59268992
CID 59268992
CID 59269063
CID 59269063
CID 59269217
CID 59269217

Frequently Asked Questions

What is the IUPAC name of 8-iodo-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-iodo-1,4-dioxaspiro[4.5]decane (CID 11021879) is 8-iodo-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-iodo-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-iodo-1,4-dioxaspiro[4.5]decane is IC1CCC2(CC1)OCCO2.
What is the InChIKey of 8-iodo-1,4-dioxaspiro[4.5]decane?
The InChIKey is DMVFMHBEQNPBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13IO2/c9-7-1-3-8(4-2-7)10-5-6-11-8/h7H,1-6H2.
What are the key properties of 8-iodo-1,4-dioxaspiro[4.5]decane?
8-iodo-1,4-dioxaspiro[4.5]decane has a molecular weight of 268.09 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-iodo-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 11021879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).