4-methoxyspiro[5.5]undec-4-en-3-one

C12H18O2 — CID 15151990

IUPAC4-methoxyspiro[5.5]undec-4-en-3-one
SMILESCOC1=CC2(CCCCC2)CCC1=O
InChIInChI=1S/C12H18O2/c1-14-11-9-12(8-5-10(11)13)6-3-2-4-7-12/h9H,2-8H2,1H3
InChIKeyGXRODDOYKWAUFX-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.83
Rot. Bonds1

About 4-methoxyspiro[5.5]undec-4-en-3-one

4-methoxyspiro[5.5]undec-4-en-3-one (PubChem CID 15151990) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 4-methoxyspiro[5.5]undec-4-en-3-one.

Molecular Properties

Compound Name4-methoxyspiro[5.5]undec-4-en-3-one
PubChem CID15151990
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name4-methoxyspiro[5.5]undec-4-en-3-one
SMILESCOC1=CC2(CCCCC2)CCC1=O
InChIInChI=1S/C12H18O2/c1-14-11-9-12(8-5-10(11)13)6-3-2-4-7-12/h9H,2-8H2,1H3
InChIKeyGXRODDOYKWAUFX-UHFFFAOYSA-N
XLogP2.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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5-(Cyclohexylmethyl)-3-methoxy-2-propan-2-ylcyclohexa-2,5-diene-1,4-dione
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21-Dehydroxybolinaquinone
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(4bS,8aS)-2-methoxy-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthrene-1,4-dione
CID 10613356
(6S,7R)-7-ethenyl-2-methoxy-7-methyl-6-prop-1-en-2-yl-6,8-dihydro-5H-naphthalene-1,4-dione
CID 162911881
(8aR,10aS)-3-methoxy-8,10a-dimethyl-6,8a,9,10-tetrahydro-5H-anthracene-1,4-dione
CID 163019750
(8aS,10aS)-3-methoxy-10a-methyl-8-methylidene-5,6,7,8a,9,10-hexahydroanthracene-1,4-dione
CID 163082463
5-Methoxy-8A-methyl-3,4,8,8A-tetrahydro-1,6(2H,7H)-naphthalenedione
CID 5199038
2-[[(1R,2R,4aS,8aS)-1,2,5-trimethyl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl]-6-methoxycyclohexa-2,5-diene-1,4-dione
CID 172469855
1-(2-Acetyl-4-cyclohexyl-2-fluoro-3,4-dihydropyran-6-yl)ethanone
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1-Methoxy-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone
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Frequently Asked Questions

What is the IUPAC name of 4-methoxyspiro[5.5]undec-4-en-3-one?
The IUPAC name of 4-methoxyspiro[5.5]undec-4-en-3-one (CID 15151990) is 4-methoxyspiro[5.5]undec-4-en-3-one.
What is the SMILES notation for 4-methoxyspiro[5.5]undec-4-en-3-one?
The canonical SMILES for 4-methoxyspiro[5.5]undec-4-en-3-one is COC1=CC2(CCCCC2)CCC1=O.
What is the InChIKey of 4-methoxyspiro[5.5]undec-4-en-3-one?
The InChIKey is GXRODDOYKWAUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-14-11-9-12(8-5-10(11)13)6-3-2-4-7-12/h9H,2-8H2,1H3.
What are the key properties of 4-methoxyspiro[5.5]undec-4-en-3-one?
4-methoxyspiro[5.5]undec-4-en-3-one has a molecular weight of 194.27 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxyspiro[5.5]undec-4-en-3-one is sourced from PubChem (CID 15151990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).