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

C10H13IO3 — CID 88877147

IUPAC6-iodo-8-methyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde
SMILESCC1(C=O)C=C(I)C2(CC1)OCCO2
InChIInChI=1S/C10H13IO3/c1-9(7-12)2-3-10(8(11)6-9)13-4-5-14-10/h6-7H,2-5H2,1H3
InChIKeyVQZQDLLHESSKFZ-UHFFFAOYSA-N
MW308.12 g/mol
LogP2.05
Rot. Bonds1

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

6-iodo-8-methyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde (PubChem CID 88877147) has the molecular formula C10H13IO3 and a molecular weight of 308.12 g/mol. Its IUPAC name is 6-iodo-8-methyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde.

Molecular Properties

Compound Name6-iodo-8-methyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde
PubChem CID88877147
Molecular FormulaC10H13IO3
Molecular Weight308.12 g/mol
Exact Mass307.99
IUPAC Name6-iodo-8-methyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde
SMILESCC1(C=O)C=C(I)C2(CC1)OCCO2
InChIInChI=1S/C10H13IO3/c1-9(7-12)2-3-10(8(11)6-9)13-4-5-14-10/h6-7H,2-5H2,1H3
InChIKeyVQZQDLLHESSKFZ-UHFFFAOYSA-N
XLogP2.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.12
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-iodo-8-methyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde?
The IUPAC name of 6-iodo-8-methyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde (CID 88877147) is 6-iodo-8-methyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde.
What is the SMILES notation for 6-iodo-8-methyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde?
The canonical SMILES for 6-iodo-8-methyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde is CC1(C=O)C=C(I)C2(CC1)OCCO2.
What is the InChIKey of 6-iodo-8-methyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde?
The InChIKey is VQZQDLLHESSKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IO3/c1-9(7-12)2-3-10(8(11)6-9)13-4-5-14-10/h6-7H,2-5H2,1H3.
What are the key properties of 6-iodo-8-methyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde?
6-iodo-8-methyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde has a molecular weight of 308.12 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-8-methyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde is sourced from PubChem (CID 88877147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).