6-iodo-8,8-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene

C10H15IO2 — CID 70957905

IUPAC6-iodo-8,8-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene
SMILESCC1(C)C=C(I)C2(CC1)OCCO2
InChIInChI=1S/C10H15IO2/c1-9(2)3-4-10(8(11)7-9)12-5-6-13-10/h7H,3-6H2,1-2H3
InChIKeyLDMFJBNZWJTXPL-UHFFFAOYSA-N
MW294.13 g/mol
LogP2.87
Rot. Bonds

About 6-iodo-8,8-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene

6-iodo-8,8-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene (PubChem CID 70957905) has the molecular formula C10H15IO2 and a molecular weight of 294.13 g/mol. Its IUPAC name is 6-iodo-8,8-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene.

Molecular Properties

Compound Name6-iodo-8,8-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene
PubChem CID70957905
Molecular FormulaC10H15IO2
Molecular Weight294.13 g/mol
Exact Mass294.01
IUPAC Name6-iodo-8,8-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene
SMILESCC1(C)C=C(I)C2(CC1)OCCO2
InChIInChI=1S/C10H15IO2/c1-9(2)3-4-10(8(11)7-9)12-5-6-13-10/h7H,3-6H2,1-2H3
InChIKeyLDMFJBNZWJTXPL-UHFFFAOYSA-N
XLogP2.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.13
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-iodo-8,8-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene?
The IUPAC name of 6-iodo-8,8-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene (CID 70957905) is 6-iodo-8,8-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene.
What is the SMILES notation for 6-iodo-8,8-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene?
The canonical SMILES for 6-iodo-8,8-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene is CC1(C)C=C(I)C2(CC1)OCCO2.
What is the InChIKey of 6-iodo-8,8-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene?
The InChIKey is LDMFJBNZWJTXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IO2/c1-9(2)3-4-10(8(11)7-9)12-5-6-13-10/h7H,3-6H2,1-2H3.
What are the key properties of 6-iodo-8,8-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene?
6-iodo-8,8-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene has a molecular weight of 294.13 g/mol, XLogP of 2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-8,8-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene is sourced from PubChem (CID 70957905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).