2,10-dimethyl-1,5-dioxaspiro[5.5]undec-2-en-4-one

C11H16O3 — CID 574413

IUPAC2,10-dimethyl-1,5-dioxaspiro[5.5]undec-2-en-4-one
SMILESCC1=CC(=O)OC2(CCCC(C)C2)O1
InChIInChI=1S/C11H16O3/c1-8-4-3-5-11(7-8)13-9(2)6-10(12)14-11/h6,8H,3-5,7H2,1-2H3
InChIKeySSJNTIIARPMCNX-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.37
Rot. Bonds

About 2,10-dimethyl-1,5-dioxaspiro[5.5]undec-2-en-4-one

2,10-dimethyl-1,5-dioxaspiro[5.5]undec-2-en-4-one (PubChem CID 574413) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2,10-dimethyl-1,5-dioxaspiro[5.5]undec-2-en-4-one.

Molecular Properties

Compound Name2,10-dimethyl-1,5-dioxaspiro[5.5]undec-2-en-4-one
PubChem CID574413
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name2,10-dimethyl-1,5-dioxaspiro[5.5]undec-2-en-4-one
SMILESCC1=CC(=O)OC2(CCCC(C)C2)O1
InChIInChI=1S/C11H16O3/c1-8-4-3-5-11(7-8)13-9(2)6-10(12)14-11/h6,8H,3-5,7H2,1-2H3
InChIKeySSJNTIIARPMCNX-UHFFFAOYSA-N
XLogP2.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6S,8R,11S)-2,8-dimethyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one
CID 15921426
(6R,8R,11S)-2,8-dimethyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one
CID 10988335
(6S)-7-Isopropyl-2,10-dimethyl-1,5-dioxaspiro[5.5]undec-2-en-4-one
CID 57346442
1,5-Dioxaspiro[5.5]undec-3-en-2-one, 7-isopropyl-4,10-dimethyl-
CID 574328
2,6-Dimethyl-2-(4-methylcyclohex-3-en-1-yl)-1,3-dioxin-4-one
CID 11195407
(6R,8S,11R)-2,8-dimethyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one
CID 15921423
(6R)-2,8-dimethyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one
CID 57346450
(6S,8S,11R)-2,8-dimethyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one
CID 92177273
6-Cyclohexyl-2,2-dimethyl-1,3-dioxin-4-one
CID 122228419

Frequently Asked Questions

What is the IUPAC name of 2,10-dimethyl-1,5-dioxaspiro[5.5]undec-2-en-4-one?
The IUPAC name of 2,10-dimethyl-1,5-dioxaspiro[5.5]undec-2-en-4-one (CID 574413) is 2,10-dimethyl-1,5-dioxaspiro[5.5]undec-2-en-4-one.
What is the SMILES notation for 2,10-dimethyl-1,5-dioxaspiro[5.5]undec-2-en-4-one?
The canonical SMILES for 2,10-dimethyl-1,5-dioxaspiro[5.5]undec-2-en-4-one is CC1=CC(=O)OC2(CCCC(C)C2)O1.
What is the InChIKey of 2,10-dimethyl-1,5-dioxaspiro[5.5]undec-2-en-4-one?
The InChIKey is SSJNTIIARPMCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-8-4-3-5-11(7-8)13-9(2)6-10(12)14-11/h6,8H,3-5,7H2,1-2H3.
What are the key properties of 2,10-dimethyl-1,5-dioxaspiro[5.5]undec-2-en-4-one?
2,10-dimethyl-1,5-dioxaspiro[5.5]undec-2-en-4-one has a molecular weight of 196.25 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-dimethyl-1,5-dioxaspiro[5.5]undec-2-en-4-one is sourced from PubChem (CID 574413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).