spiro[7,8-dihydro-6H-chromene-4,1'-cyclohexane]-5-one

C14H18O2 — CID 102262125

IUPACspiro[7,8-dihydro-6H-chromene-4,1'-cyclohexane]-5-one
SMILESO=C1CCCC2=C1C1(C=CO2)CCCCC1
InChIInChI=1S/C14H18O2/c15-11-5-4-6-12-13(11)14(9-10-16-12)7-2-1-3-8-14/h9-10H,1-8H2
InChIKeySZBDOQJOFFHHRJ-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.49
Rot. Bonds

About spiro[7,8-dihydro-6H-chromene-4,1'-cyclohexane]-5-one

spiro[7,8-dihydro-6H-chromene-4,1'-cyclohexane]-5-one (PubChem CID 102262125) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is spiro[7,8-dihydro-6H-chromene-4,1'-cyclohexane]-5-one.

Molecular Properties

Compound Namespiro[7,8-dihydro-6H-chromene-4,1'-cyclohexane]-5-one
PubChem CID102262125
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Namespiro[7,8-dihydro-6H-chromene-4,1'-cyclohexane]-5-one
SMILESO=C1CCCC2=C1C1(C=CO2)CCCCC1
InChIInChI=1S/C14H18O2/c15-11-5-4-6-12-13(11)14(9-10-16-12)7-2-1-3-8-14/h9-10H,1-8H2
InChIKeySZBDOQJOFFHHRJ-UHFFFAOYSA-N
XLogP3.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[7,8-dihydro-6H-chromene-4,1'-cyclohexane]-5-one?
The IUPAC name of spiro[7,8-dihydro-6H-chromene-4,1'-cyclohexane]-5-one (CID 102262125) is spiro[7,8-dihydro-6H-chromene-4,1'-cyclohexane]-5-one.
What is the SMILES notation for spiro[7,8-dihydro-6H-chromene-4,1'-cyclohexane]-5-one?
The canonical SMILES for spiro[7,8-dihydro-6H-chromene-4,1'-cyclohexane]-5-one is O=C1CCCC2=C1C1(C=CO2)CCCCC1.
What is the InChIKey of spiro[7,8-dihydro-6H-chromene-4,1'-cyclohexane]-5-one?
The InChIKey is SZBDOQJOFFHHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c15-11-5-4-6-12-13(11)14(9-10-16-12)7-2-1-3-8-14/h9-10H,1-8H2.
What are the key properties of spiro[7,8-dihydro-6H-chromene-4,1'-cyclohexane]-5-one?
spiro[7,8-dihydro-6H-chromene-4,1'-cyclohexane]-5-one has a molecular weight of 218.30 g/mol, XLogP of 3.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[7,8-dihydro-6H-chromene-4,1'-cyclohexane]-5-one is sourced from PubChem (CID 102262125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).