(2S,3'R)-3'-cyclohexylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one

C17H20O2 — CID 11139739

IUPAC(2S,3'R)-3'-cyclohexylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one
SMILESO=C1c2ccccc2CC[C@@]12O[C@@H]2C1CCCCC1
InChIInChI=1S/C17H20O2/c18-15-14-9-5-4-6-12(14)10-11-17(15)16(19-17)13-7-2-1-3-8-13/h4-6,9,13,16H,1-3,7-8,10-11H2/t16-,17-/m1/s1
InChIKeyASQPAJCBOIPBPD-IAGOWNOFSA-N
MW256.34 g/mol
LogP3.53
Rot. Bonds1

About (2S,3'R)-3'-cyclohexylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one

(2S,3'R)-3'-cyclohexylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one (PubChem CID 11139739) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is (2S,3'R)-3'-cyclohexylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one.

Molecular Properties

Compound Name(2S,3'R)-3'-cyclohexylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one
PubChem CID11139739
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name(2S,3'R)-3'-cyclohexylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one
SMILESO=C1c2ccccc2CC[C@@]12O[C@@H]2C1CCCCC1
InChIInChI=1S/C17H20O2/c18-15-14-9-5-4-6-12(14)10-11-17(15)16(19-17)13-7-2-1-3-8-13/h4-6,9,13,16H,1-3,7-8,10-11H2/t16-,17-/m1/s1
InChIKeyASQPAJCBOIPBPD-IAGOWNOFSA-N
XLogP3.53
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2R,3'S)-3'-propan-2-ylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one
CID 15356461
(2S,3'R)-3'-propylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one
CID 134964852
(2S,3'S)-3'-(4-chlorophenyl)spiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one
CID 6933126
(2S,3'S)-3'-(4-fluorophenyl)spiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one
CID 6933122
(3'S,6R)-3'-(4-fluorophenyl)spiro[8,9-dihydro-7H-benzo[7]annulene-6,2'-oxirane]-5-one
CID 6933143
(3'R,6S)-3'-(4-bromophenyl)spiro[8,9-dihydro-7H-benzo[7]annulene-6,2'-oxirane]-5-one
CID 6933149
(3R,8S)-tricyclo[9.4.0.03,8]pentadeca-1(15),11,13-trien-2-one
CID 169445455
(2R,3'R)-3'-phenylspiro[3H-indene-2,2'-oxirane]-1-one
CID 736601
3-(4-chlorophenyl)spiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one
CID 127256723
cyclohexyl-methyl-(3-oxo-1,2-dihydroinden-2-yl)sulfanium
CID 22974589
(2R,3'S)-3'-propan-2-ylspiro[3H-indene-2,2'-oxirane]-1-one
CID 102246786
(2R)-2-hydroxy-2-methyl-3,4-dihydronaphthalen-1-one
CID 14120941

Frequently Asked Questions

What is the IUPAC name of (2S,3'R)-3'-cyclohexylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one?
The IUPAC name of (2S,3'R)-3'-cyclohexylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one (CID 11139739) is (2S,3'R)-3'-cyclohexylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one.
What is the SMILES notation for (2S,3'R)-3'-cyclohexylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one?
The canonical SMILES for (2S,3'R)-3'-cyclohexylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one is O=C1c2ccccc2CC[C@@]12O[C@@H]2C1CCCCC1.
What is the InChIKey of (2S,3'R)-3'-cyclohexylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one?
The InChIKey is ASQPAJCBOIPBPD-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H20O2/c18-15-14-9-5-4-6-12(14)10-11-17(15)16(19-17)13-7-2-1-3-8-13/h4-6,9,13,16H,1-3,7-8,10-11H2/t16-,17-/m1/s1.
What are the key properties of (2S,3'R)-3'-cyclohexylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one?
(2S,3'R)-3'-cyclohexylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one has a molecular weight of 256.34 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3'R)-3'-cyclohexylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one is sourced from PubChem (CID 11139739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).