11-methyl-7,12-dioxaspiro[5.6]dodeca-1,4-dien-3-one

C11H14O3 — CID 101146417

IUPAC11-methyl-7,12-dioxaspiro[5.6]dodeca-1,4-dien-3-one
SMILESCC1CCCOC2(C=CC(=O)C=C2)O1
InChIInChI=1S/C11H14O3/c1-9-3-2-8-13-11(14-9)6-4-10(12)5-7-11/h4-7,9H,2-3,8H2,1H3
InChIKeyLETCCTRURREXQA-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.59
Rot. Bonds

About 11-methyl-7,12-dioxaspiro[5.6]dodeca-1,4-dien-3-one

11-methyl-7,12-dioxaspiro[5.6]dodeca-1,4-dien-3-one (PubChem CID 101146417) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 11-methyl-7,12-dioxaspiro[5.6]dodeca-1,4-dien-3-one.

Molecular Properties

Compound Name11-methyl-7,12-dioxaspiro[5.6]dodeca-1,4-dien-3-one
PubChem CID101146417
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name11-methyl-7,12-dioxaspiro[5.6]dodeca-1,4-dien-3-one
SMILESCC1CCCOC2(C=CC(=O)C=C2)O1
InChIInChI=1S/C11H14O3/c1-9-3-2-8-13-11(14-9)6-4-10(12)5-7-11/h4-7,9H,2-3,8H2,1H3
InChIKeyLETCCTRURREXQA-UHFFFAOYSA-N
XLogP1.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-Dimethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one
CID 73110345
4-Methoxy-4-[(propan-2-yl)oxy]cyclohexa-2,5-dien-1-one
CID 12935901
4-Ethoxy-4-methoxycyclohexa-2,5-dien-1-one
CID 12935899
4-Methoxy-4-propoxycyclohexa-2,5-dien-1-one
CID 12935900
4,4-Diethoxycyclohexa-2,5-dien-1-one
CID 12935912
(2R,4S)-2,4-dimethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one
CID 11041637
(2R,4R)-2,4-dimethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one
CID 11805595
(E)-4-[(1S,5S)-2,8-dioxabicyclo[3.2.1]octan-1-yl]but-3-en-2-one
CID 59052326
7,12-Dioxaspiro[5.6]dodeca-1,4-dien-3-one
CID 85668239
(E)-4-(2,8-dioxabicyclo[3.2.1]octan-1-yl)but-3-en-2-one
CID 102597756

Frequently Asked Questions

What is the IUPAC name of 11-methyl-7,12-dioxaspiro[5.6]dodeca-1,4-dien-3-one?
The IUPAC name of 11-methyl-7,12-dioxaspiro[5.6]dodeca-1,4-dien-3-one (CID 101146417) is 11-methyl-7,12-dioxaspiro[5.6]dodeca-1,4-dien-3-one.
What is the SMILES notation for 11-methyl-7,12-dioxaspiro[5.6]dodeca-1,4-dien-3-one?
The canonical SMILES for 11-methyl-7,12-dioxaspiro[5.6]dodeca-1,4-dien-3-one is CC1CCCOC2(C=CC(=O)C=C2)O1.
What is the InChIKey of 11-methyl-7,12-dioxaspiro[5.6]dodeca-1,4-dien-3-one?
The InChIKey is LETCCTRURREXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-9-3-2-8-13-11(14-9)6-4-10(12)5-7-11/h4-7,9H,2-3,8H2,1H3.
What are the key properties of 11-methyl-7,12-dioxaspiro[5.6]dodeca-1,4-dien-3-one?
11-methyl-7,12-dioxaspiro[5.6]dodeca-1,4-dien-3-one has a molecular weight of 194.23 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-7,12-dioxaspiro[5.6]dodeca-1,4-dien-3-one is sourced from PubChem (CID 101146417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).