7-iodo-6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-ene

C11H17IO2 — CID 11822974

IUPAC7-iodo-6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-ene
SMILESCC1=C(I)C(C)(C)C2(CC1)OCCO2
InChIInChI=1S/C11H17IO2/c1-8-4-5-11(13-6-7-14-11)10(2,3)9(8)12/h4-7H2,1-3H3
InChIKeyLORPAOZLAQIUFI-UHFFFAOYSA-N
MW308.16 g/mol
LogP3.26
Rot. Bonds

About 7-iodo-6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-ene

7-iodo-6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-ene (PubChem CID 11822974) has the molecular formula C11H17IO2 and a molecular weight of 308.16 g/mol. Its IUPAC name is 7-iodo-6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-ene.

Molecular Properties

Compound Name7-iodo-6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-ene
PubChem CID11822974
Molecular FormulaC11H17IO2
Molecular Weight308.16 g/mol
Exact Mass308.03
IUPAC Name7-iodo-6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-ene
SMILESCC1=C(I)C(C)(C)C2(CC1)OCCO2
InChIInChI=1S/C11H17IO2/c1-8-4-5-11(13-6-7-14-11)10(2,3)9(8)12/h4-7H2,1-3H3
InChIKeyLORPAOZLAQIUFI-UHFFFAOYSA-N
XLogP3.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.16
LogP ≤ 53.26
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 7-iodo-6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-ene?
The IUPAC name of 7-iodo-6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-ene (CID 11822974) is 7-iodo-6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-ene.
What is the SMILES notation for 7-iodo-6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-ene?
The canonical SMILES for 7-iodo-6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-ene is CC1=C(I)C(C)(C)C2(CC1)OCCO2.
What is the InChIKey of 7-iodo-6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-ene?
The InChIKey is LORPAOZLAQIUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17IO2/c1-8-4-5-11(13-6-7-14-11)10(2,3)9(8)12/h4-7H2,1-3H3.
What are the key properties of 7-iodo-6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-ene?
7-iodo-6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-ene has a molecular weight of 308.16 g/mol, XLogP of 3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-ene is sourced from PubChem (CID 11822974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).