(4'R)-4'-phenylspiro[1,3-dioxolane-2,7'-bicyclo[3.3.1]non-2-ene]-9'-one

C17H18O3 — CID 134945837

IUPAC(4'R)-4'-phenylspiro[1,3-dioxolane-2,7'-bicyclo[3.3.1]non-2-ene]-9'-one
SMILESO=C1C2C=C[C@@H](c3ccccc3)C1CC1(C2)OCCO1
InChIInChI=1S/C17H18O3/c18-16-13-6-7-14(12-4-2-1-3-5-12)15(16)11-17(10-13)19-8-9-20-17/h1-7,13-15H,8-11H2/t13?,14-,15?/m0/s1
InChIKeyCDGOVAICQCPQCN-SLTAFYQDSA-N
MW270.33 g/mol
LogP2.68
Rot. Bonds1

About (4'R)-4'-phenylspiro[1,3-dioxolane-2,7'-bicyclo[3.3.1]non-2-ene]-9'-one

(4'R)-4'-phenylspiro[1,3-dioxolane-2,7'-bicyclo[3.3.1]non-2-ene]-9'-one (PubChem CID 134945837) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is (4'R)-4'-phenylspiro[1,3-dioxolane-2,7'-bicyclo[3.3.1]non-2-ene]-9'-one.

Molecular Properties

Compound Name(4'R)-4'-phenylspiro[1,3-dioxolane-2,7'-bicyclo[3.3.1]non-2-ene]-9'-one
PubChem CID134945837
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name(4'R)-4'-phenylspiro[1,3-dioxolane-2,7'-bicyclo[3.3.1]non-2-ene]-9'-one
SMILESO=C1C2C=C[C@@H](c3ccccc3)C1CC1(C2)OCCO1
InChIInChI=1S/C17H18O3/c18-16-13-6-7-14(12-4-2-1-3-5-12)15(16)11-17(10-13)19-8-9-20-17/h1-7,13-15H,8-11H2/t13?,14-,15?/m0/s1
InChIKeyCDGOVAICQCPQCN-SLTAFYQDSA-N
XLogP2.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R,4R)-3,4-dibenzyloxolan-2-one
CID 11448508
(3R,4R)-4-benzyl-3-[(3-methylphenyl)methyl]oxolan-2-one
CID 137634709
7-(4-Fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-one
CID 66859400
2,3-Dibenzylbutyrolactone
CID 14546897
2-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]-2-phenylacetaldehyde
CID 56954480
7-Phenyl-1,4-dioxaspiro[4.5]decan-8-one
CID 58075535
(1'S,4a'S,8a'S)-1'-methyl-4a'-phenylhexahydro-1'H-spiro[1,3-dioxolane-2,2'-naphthalen]-5'(3'H)-one
CID 118291376
1-Cyclohexyl-4,4-diethoxy-2-(2-fluorophenyl)butan-1-one
CID 22037177
7-[[4-(Trifluoromethyl)phenyl]methyl]-1,4-dioxaspiro[4.5]decan-8-one
CID 67129633
3-Bromo-7-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-one
CID 67435223
3-Benzhydryloxolan-2-one
CID 10467382
(4aS,9aR)-spiro[1,2,3,4a,9a,10-hexahydroanthracene-4,2'-1,3-dioxolane]-9-one
CID 11139782

Frequently Asked Questions

What is the IUPAC name of (4'R)-4'-phenylspiro[1,3-dioxolane-2,7'-bicyclo[3.3.1]non-2-ene]-9'-one?
The IUPAC name of (4'R)-4'-phenylspiro[1,3-dioxolane-2,7'-bicyclo[3.3.1]non-2-ene]-9'-one (CID 134945837) is (4'R)-4'-phenylspiro[1,3-dioxolane-2,7'-bicyclo[3.3.1]non-2-ene]-9'-one.
What is the SMILES notation for (4'R)-4'-phenylspiro[1,3-dioxolane-2,7'-bicyclo[3.3.1]non-2-ene]-9'-one?
The canonical SMILES for (4'R)-4'-phenylspiro[1,3-dioxolane-2,7'-bicyclo[3.3.1]non-2-ene]-9'-one is O=C1C2C=C[C@@H](c3ccccc3)C1CC1(C2)OCCO1.
What is the InChIKey of (4'R)-4'-phenylspiro[1,3-dioxolane-2,7'-bicyclo[3.3.1]non-2-ene]-9'-one?
The InChIKey is CDGOVAICQCPQCN-SLTAFYQDSA-N. The full InChI is InChI=1S/C17H18O3/c18-16-13-6-7-14(12-4-2-1-3-5-12)15(16)11-17(10-13)19-8-9-20-17/h1-7,13-15H,8-11H2/t13?,14-,15?/m0/s1.
What are the key properties of (4'R)-4'-phenylspiro[1,3-dioxolane-2,7'-bicyclo[3.3.1]non-2-ene]-9'-one?
(4'R)-4'-phenylspiro[1,3-dioxolane-2,7'-bicyclo[3.3.1]non-2-ene]-9'-one has a molecular weight of 270.33 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4'R)-4'-phenylspiro[1,3-dioxolane-2,7'-bicyclo[3.3.1]non-2-ene]-9'-one is sourced from PubChem (CID 134945837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).