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

C16H20O — CID 21433521

IUPACethene;spiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one
SMILESC=C.O=C1CCC2(CC1)Cc1ccccc1C2
InChIInChI=1S/C14H16O.C2H4/c15-13-5-7-14(8-6-13)9-11-3-1-2-4-12(11)10-14;1-2/h1-4H,5-10H2;1-2H2
InChIKeyHOVYSQAPSRXWHQ-UHFFFAOYSA-N
MW228.33 g/mol
LogP3.72
Rot. Bonds

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

ethene;spiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one (PubChem CID 21433521) has the molecular formula C16H20O and a molecular weight of 228.33 g/mol. Its IUPAC name is ethene;spiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one.

Molecular Properties

Compound Nameethene;spiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one
PubChem CID21433521
Molecular FormulaC16H20O
Molecular Weight228.33 g/mol
Exact Mass228.15
IUPAC Nameethene;spiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one
SMILESC=C.O=C1CCC2(CC1)Cc1ccccc1C2
InChIInChI=1S/C14H16O.C2H4/c15-13-5-7-14(8-6-13)9-11-3-1-2-4-12(11)10-14;1-2/h1-4H,5-10H2;1-2H2
InChIKeyHOVYSQAPSRXWHQ-UHFFFAOYSA-N
XLogP3.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethene;4-fluorospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one
CID 21433676
4-bromospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one
CID 21433537
spiro[3.5]nonane-2,7-dione
CID 130028978
1-aminospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one;ethene
CID 21433564
spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-one
CID 22357444
(7S)-2-sulfanylidenespiro[1,5,6,8-tetrahydroquinazoline-7,3'-2,4-dihydro-1H-naphthalene]-4-one
CID 155321685
spiro[2,4-dihydronaphthalene-3,1'-cyclopentane]-1-one
CID 176640105
spiro[1,3-dihydroindene-2,6'-7,8-dihydro-5H-naphthalene]-2'-ol
CID 91293729
ethane;spiro[1,3-dihydroindene-2,4'-piperidine]
CID 168950333
4-ethyl-4-phenylcyclohexan-1-one
CID 71029419
methyl (3S)-2'-oxospiro[2,4-dihydro-1H-naphthalene-3,4'-cyclopentane]-1'-carboxylate
CID 155336796
(3S)-spiro[2,4-dihydro-1H-naphthalene-3,3'-cyclohexane]-1'-ol
CID 175705995

Frequently Asked Questions

What is the IUPAC name of ethene;spiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one?
The IUPAC name of ethene;spiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one (CID 21433521) is ethene;spiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one.
What is the SMILES notation for ethene;spiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one?
The canonical SMILES for ethene;spiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one is C=C.O=C1CCC2(CC1)Cc1ccccc1C2.
What is the InChIKey of ethene;spiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one?
The InChIKey is HOVYSQAPSRXWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O.C2H4/c15-13-5-7-14(8-6-13)9-11-3-1-2-4-12(11)10-14;1-2/h1-4H,5-10H2;1-2H2.
What are the key properties of ethene;spiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one?
ethene;spiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one has a molecular weight of 228.33 g/mol, XLogP of 3.72, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;spiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one is sourced from PubChem (CID 21433521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).