8,8-dimethyl-6,10-dioxaspiro[4.5]dec-3-en-2-one

C10H14O3 — CID 14778541

IUPAC8,8-dimethyl-6,10-dioxaspiro[4.5]dec-3-en-2-one
SMILESCC1(C)COC2(C=CC(=O)C2)OC1
InChIInChI=1S/C10H14O3/c1-9(2)6-12-10(13-7-9)4-3-8(11)5-10/h3-4H,5-7H2,1-2H3
InChIKeyFABPEFGIVXAXDK-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.28
Rot. Bonds

About 8,8-dimethyl-6,10-dioxaspiro[4.5]dec-3-en-2-one

8,8-dimethyl-6,10-dioxaspiro[4.5]dec-3-en-2-one (PubChem CID 14778541) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 8,8-dimethyl-6,10-dioxaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name8,8-dimethyl-6,10-dioxaspiro[4.5]dec-3-en-2-one
PubChem CID14778541
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name8,8-dimethyl-6,10-dioxaspiro[4.5]dec-3-en-2-one
SMILESCC1(C)COC2(C=CC(=O)C2)OC1
InChIInChI=1S/C10H14O3/c1-9(2)6-12-10(13-7-9)4-3-8(11)5-10/h3-4H,5-7H2,1-2H3
InChIKeyFABPEFGIVXAXDK-UHFFFAOYSA-N
XLogP1.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-6,10-dioxaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 8,8-dimethyl-6,10-dioxaspiro[4.5]dec-3-en-2-one (CID 14778541) is 8,8-dimethyl-6,10-dioxaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 8,8-dimethyl-6,10-dioxaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 8,8-dimethyl-6,10-dioxaspiro[4.5]dec-3-en-2-one is CC1(C)COC2(C=CC(=O)C2)OC1.
What is the InChIKey of 8,8-dimethyl-6,10-dioxaspiro[4.5]dec-3-en-2-one?
The InChIKey is FABPEFGIVXAXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-9(2)6-12-10(13-7-9)4-3-8(11)5-10/h3-4H,5-7H2,1-2H3.
What are the key properties of 8,8-dimethyl-6,10-dioxaspiro[4.5]dec-3-en-2-one?
8,8-dimethyl-6,10-dioxaspiro[4.5]dec-3-en-2-one has a molecular weight of 182.22 g/mol, XLogP of 1.28, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-6,10-dioxaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 14778541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).