(5R,7R,9R)-7-methyl-9-phenyl-9-prop-2-enyl-1-oxaspiro[4.4]nonan-6-one

C18H22O2 — CID 139125498

IUPAC(5R,7R,9R)-7-methyl-9-phenyl-9-prop-2-enyl-1-oxaspiro[4.4]nonan-6-one
SMILESC=CC[C@]1(c2ccccc2)C[C@@H](C)C(=O)[C@@]12CCCO2
InChIInChI=1S/C18H22O2/c1-3-10-17(15-8-5-4-6-9-15)13-14(2)16(19)18(17)11-7-12-20-18/h3-6,8-9,14H,1,7,10-13H2,2H3/t14-,17-,18+/m1/s1
InChIKeyIRLGHMGHXMCCSE-OLMNPRSZSA-N
MW270.37 g/mol
LogP3.66
Rot. Bonds3

About (5R,7R,9R)-7-methyl-9-phenyl-9-prop-2-enyl-1-oxaspiro[4.4]nonan-6-one

(5R,7R,9R)-7-methyl-9-phenyl-9-prop-2-enyl-1-oxaspiro[4.4]nonan-6-one (PubChem CID 139125498) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is (5R,7R,9R)-7-methyl-9-phenyl-9-prop-2-enyl-1-oxaspiro[4.4]nonan-6-one.

Molecular Properties

Compound Name(5R,7R,9R)-7-methyl-9-phenyl-9-prop-2-enyl-1-oxaspiro[4.4]nonan-6-one
PubChem CID139125498
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name(5R,7R,9R)-7-methyl-9-phenyl-9-prop-2-enyl-1-oxaspiro[4.4]nonan-6-one
SMILESC=CC[C@]1(c2ccccc2)C[C@@H](C)C(=O)[C@@]12CCCO2
InChIInChI=1S/C18H22O2/c1-3-10-17(15-8-5-4-6-9-15)13-14(2)16(19)18(17)11-7-12-20-18/h3-6,8-9,14H,1,7,10-13H2,2H3/t14-,17-,18+/m1/s1
InChIKeyIRLGHMGHXMCCSE-OLMNPRSZSA-N
XLogP3.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5R,7R,9R)-7-methyl-9-phenyl-9-prop-2-enyl-1-oxaspiro[4.4]nonan-6-one with MolForge

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Launch Full Analysis

Related Compounds

9-(4-Fluorophenyl)-1-oxaspiro[4.4]nonan-3-one
CID 54157343
(1R,6aS)-3,5,5-trimethyl-1-[(1R,2S)-2-phenylcyclohexyl]oxy-1,4,6,6a-tetrahydropentalen-2-one
CID 14780070
(1R,3R,3aS,6aR)-1,5,5-trimethyl-3-[(1R,2S)-2-phenylcyclohexyl]oxy-1,3,3a,4,6,6a-hexahydropentalen-2-one
CID 14780073
(1R,5R,8S,11S)-11-phenyl-5-propyl-6-oxatricyclo[6.3.0.01,5]undecan-10-one
CID 15258137
cis-(2R,4S)-4-tert-butyl-2-ethenyl-2-phenylmethoxycyclopentan-1-one
CID 101857701
2-Hydroxy-2,5,5-trimethyl-3,4-diphenylcyclopentanone
CID 102142693
methyl 3-[(3R)-3-ethenyl-4-oxo-3-phenylmethoxycyclopentyl]-3-methylbutanoate
CID 134940871
(3aS,5R,6aR)-5-ethenyl-3,3-dimethyl-5-phenylmethoxy-2,3a,4,6a-tetrahydropentalene-1,6-dione
CID 134940872
(2S)-8,8-dimethyl-2-phenyl-6-oxaspiro[4.5]decane-4,9-dione
CID 134951866
(5R,10R)-10-phenyl-6-oxaspiro[4.5]decan-4-one
CID 134957796
cis-1-Methyl-6-oxo-3-phenyl-10-oxabicyclo[6.3.0]undec-2-ene
CID 139117953
(5R,7R,9R)-7-methyl-9-phenyl-9-prop-2-enyl-1-oxaspiro[4.4]nonan-6-one
CID 139125497

Frequently Asked Questions

What is the IUPAC name of (5R,7R,9R)-7-methyl-9-phenyl-9-prop-2-enyl-1-oxaspiro[4.4]nonan-6-one?
The IUPAC name of (5R,7R,9R)-7-methyl-9-phenyl-9-prop-2-enyl-1-oxaspiro[4.4]nonan-6-one (CID 139125498) is (5R,7R,9R)-7-methyl-9-phenyl-9-prop-2-enyl-1-oxaspiro[4.4]nonan-6-one.
What is the SMILES notation for (5R,7R,9R)-7-methyl-9-phenyl-9-prop-2-enyl-1-oxaspiro[4.4]nonan-6-one?
The canonical SMILES for (5R,7R,9R)-7-methyl-9-phenyl-9-prop-2-enyl-1-oxaspiro[4.4]nonan-6-one is C=CC[C@]1(c2ccccc2)C[C@@H](C)C(=O)[C@@]12CCCO2.
What is the InChIKey of (5R,7R,9R)-7-methyl-9-phenyl-9-prop-2-enyl-1-oxaspiro[4.4]nonan-6-one?
The InChIKey is IRLGHMGHXMCCSE-OLMNPRSZSA-N. The full InChI is InChI=1S/C18H22O2/c1-3-10-17(15-8-5-4-6-9-15)13-14(2)16(19)18(17)11-7-12-20-18/h3-6,8-9,14H,1,7,10-13H2,2H3/t14-,17-,18+/m1/s1.
What are the key properties of (5R,7R,9R)-7-methyl-9-phenyl-9-prop-2-enyl-1-oxaspiro[4.4]nonan-6-one?
(5R,7R,9R)-7-methyl-9-phenyl-9-prop-2-enyl-1-oxaspiro[4.4]nonan-6-one has a molecular weight of 270.37 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7R,9R)-7-methyl-9-phenyl-9-prop-2-enyl-1-oxaspiro[4.4]nonan-6-one is sourced from PubChem (CID 139125498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).