7'-methylspiro[cyclohexane-1,4'-pyrano[4,3-b]pyran]-5'-one

C14H16O3 — CID 134863063

IUPAC7'-methylspiro[cyclohexane-1,4'-pyrano[4,3-b]pyran]-5'-one
SMILESCc1cc2c(c(=O)o1)C1(C=CO2)CCCCC1
InChIInChI=1S/C14H16O3/c1-10-9-11-12(13(15)17-10)14(7-8-16-11)5-3-2-4-6-14/h7-9H,2-6H2,1H3
InChIKeyZFNZHACQGVGOTE-UHFFFAOYSA-N
MW232.28 g/mol
LogP3.06
Rot. Bonds

About 7'-methylspiro[cyclohexane-1,4'-pyrano[4,3-b]pyran]-5'-one

7'-methylspiro[cyclohexane-1,4'-pyrano[4,3-b]pyran]-5'-one (PubChem CID 134863063) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 7'-methylspiro[cyclohexane-1,4'-pyrano[4,3-b]pyran]-5'-one.

Molecular Properties

Compound Name7'-methylspiro[cyclohexane-1,4'-pyrano[4,3-b]pyran]-5'-one
PubChem CID134863063
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name7'-methylspiro[cyclohexane-1,4'-pyrano[4,3-b]pyran]-5'-one
SMILESCc1cc2c(c(=O)o1)C1(C=CO2)CCCCC1
InChIInChI=1S/C14H16O3/c1-10-9-11-12(13(15)17-10)14(7-8-16-11)5-3-2-4-6-14/h7-9H,2-6H2,1H3
InChIKeyZFNZHACQGVGOTE-UHFFFAOYSA-N
XLogP3.06
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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methyl (4R,6aR,7S,10aS)-7,10a-dimethyl-2-oxo-4-propan-2-yl-4,6,6a,8,9,10-hexahydrobenzo[f]isochromene-7-carboxylate
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[(1R,2S,7R,8aR)-1,8a-dimethyl-6-oxo-7-prop-1-en-2-yl-1,2,7,8-tetrahydronaphthalen-2-yl] (2E,4E,6S)-6-methylocta-2,4-dienoate
CID 163091963
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methyl (6aR,7S,10aS)-7,10a-dimethyl-2-oxo-6a,8,9,10-tetrahydrobenzo[f]isochromene-7-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 7'-methylspiro[cyclohexane-1,4'-pyrano[4,3-b]pyran]-5'-one?
The IUPAC name of 7'-methylspiro[cyclohexane-1,4'-pyrano[4,3-b]pyran]-5'-one (CID 134863063) is 7'-methylspiro[cyclohexane-1,4'-pyrano[4,3-b]pyran]-5'-one.
What is the SMILES notation for 7'-methylspiro[cyclohexane-1,4'-pyrano[4,3-b]pyran]-5'-one?
The canonical SMILES for 7'-methylspiro[cyclohexane-1,4'-pyrano[4,3-b]pyran]-5'-one is Cc1cc2c(c(=O)o1)C1(C=CO2)CCCCC1.
What is the InChIKey of 7'-methylspiro[cyclohexane-1,4'-pyrano[4,3-b]pyran]-5'-one?
The InChIKey is ZFNZHACQGVGOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c1-10-9-11-12(13(15)17-10)14(7-8-16-11)5-3-2-4-6-14/h7-9H,2-6H2,1H3.
What are the key properties of 7'-methylspiro[cyclohexane-1,4'-pyrano[4,3-b]pyran]-5'-one?
7'-methylspiro[cyclohexane-1,4'-pyrano[4,3-b]pyran]-5'-one has a molecular weight of 232.28 g/mol, XLogP of 3.06, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-methylspiro[cyclohexane-1,4'-pyrano[4,3-b]pyran]-5'-one is sourced from PubChem (CID 134863063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).