spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-one

C14H16O — CID 22357444

IUPACspiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-one
SMILESO=C1CCC2(CC1)CCc1ccccc12
InChIInChI=1S/C14H16O/c15-12-6-9-14(10-7-12)8-5-11-3-1-2-4-13(11)14/h1-4H,5-10H2
InChIKeyYKVYDPXSEBDAGJ-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.01
Rot. Bonds

About spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-one

spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-one (PubChem CID 22357444) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-one.

Molecular Properties

Compound Namespiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-one
PubChem CID22357444
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Namespiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-one
SMILESO=C1CCC2(CC1)CCc1ccccc12
InChIInChI=1S/C14H16O/c15-12-6-9-14(10-7-12)8-5-11-3-1-2-4-13(11)14/h1-4H,5-10H2
InChIKeyYKVYDPXSEBDAGJ-UHFFFAOYSA-N
XLogP3.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-one?
The IUPAC name of spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-one (CID 22357444) is spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-one.
What is the SMILES notation for spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-one?
The canonical SMILES for spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-one is O=C1CCC2(CC1)CCc1ccccc12.
What is the InChIKey of spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-one?
The InChIKey is YKVYDPXSEBDAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O/c15-12-6-9-14(10-7-12)8-5-11-3-1-2-4-13(11)14/h1-4H,5-10H2.
What are the key properties of spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-one?
spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-one has a molecular weight of 200.28 g/mol, XLogP of 3.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-one is sourced from PubChem (CID 22357444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).