phenyl-[(1R,2S,6S,7S,8S,9R,10R)-9-tetracyclo[5.3.1.02,6.08,10]undec-3-enyl]methanone

C18H18O — CID 10106166

IUPACphenyl-[(1R,2S,6S,7S,8S,9R,10R)-9-tetracyclo[5.3.1.02,6.08,10]undec-3-enyl]methanone
SMILESO=C(c1ccccc1)[C@@H]1[C@H]2[C@H]3C[C@H]([C@H]4C=CC[C@H]43)[C@@H]12
InChIInChI=1S/C18H18O/c19-18(10-5-2-1-3-6-10)17-15-13-9-14(16(15)17)12-8-4-7-11(12)13/h1-7,11-17H,8-9H2/t11-,12+,13+,14-,15+,16-,17-/m0/s1
InChIKeyLANSMEQZKBDYGF-YDLMYCGBSA-N
MW250.34 g/mol
LogP3.57
Rot. Bonds2

About phenyl-[(1R,2S,6S,7S,8S,9R,10R)-9-tetracyclo[5.3.1.02,6.08,10]undec-3-enyl]methanone

phenyl-[(1R,2S,6S,7S,8S,9R,10R)-9-tetracyclo[5.3.1.02,6.08,10]undec-3-enyl]methanone (PubChem CID 10106166) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is phenyl-[(1R,2S,6S,7S,8S,9R,10R)-9-tetracyclo[5.3.1.02,6.08,10]undec-3-enyl]methanone.

Molecular Properties

Compound Namephenyl-[(1R,2S,6S,7S,8S,9R,10R)-9-tetracyclo[5.3.1.02,6.08,10]undec-3-enyl]methanone
PubChem CID10106166
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Namephenyl-[(1R,2S,6S,7S,8S,9R,10R)-9-tetracyclo[5.3.1.02,6.08,10]undec-3-enyl]methanone
SMILESO=C(c1ccccc1)[C@@H]1[C@H]2[C@H]3C[C@H]([C@H]4C=CC[C@H]43)[C@@H]12
InChIInChI=1S/C18H18O/c19-18(10-5-2-1-3-6-10)17-15-13-9-14(16(15)17)12-8-4-7-11(12)13/h1-7,11-17H,8-9H2/t11-,12+,13+,14-,15+,16-,17-/m0/s1
InChIKeyLANSMEQZKBDYGF-YDLMYCGBSA-N
XLogP3.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.57
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

[(1R,2R,3S,4R)-3-benzoyl-2-bicyclo[2.2.1]hept-5-enyl]-phenylmethanone
CID 98136767
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CID 169451262
(5S)-bicyclo[3.1.0]hex-2-ene-6-carboxylic acid
CID 138580530
[(1R,2R)-2-benzoylcyclopropyl]-phenylmethanone
CID 12564065
CID 102300900
CID 102300900
phenyl-[(1R,2R,3S,4R)-3-phenyl-2-bicyclo[2.2.1]hept-5-enyl]methanone
CID 99951737
(1R,4S,5S,6S,8R)-5,6-dibenzoyl-8-methylbicyclo[2.2.2]octan-2-one
CID 101488433
phenyl-[(1S,8R,9S,10R)-10-phenyl-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]methanone
CID 154708999
[(2S,3R)-2,3-diphenylcyclopropyl]-phenylmethanone
CID 13111202
oxiran-2-yl(phenyl)methanone
CID 11788375
4-pentacyclo[6.5.1.13,6.02,7.09,13]pentadec-11-enyl propanoate
CID 102096680
[(1R,2R,3R,4S)-3-(1,1,2,2,2-pentafluoroethyl)-2-bicyclo[2.2.1]hept-5-enyl]-phenylmethanone
CID 11602120

Frequently Asked Questions

What is the IUPAC name of phenyl-[(1R,2S,6S,7S,8S,9R,10R)-9-tetracyclo[5.3.1.02,6.08,10]undec-3-enyl]methanone?
The IUPAC name of phenyl-[(1R,2S,6S,7S,8S,9R,10R)-9-tetracyclo[5.3.1.02,6.08,10]undec-3-enyl]methanone (CID 10106166) is phenyl-[(1R,2S,6S,7S,8S,9R,10R)-9-tetracyclo[5.3.1.02,6.08,10]undec-3-enyl]methanone.
What is the SMILES notation for phenyl-[(1R,2S,6S,7S,8S,9R,10R)-9-tetracyclo[5.3.1.02,6.08,10]undec-3-enyl]methanone?
The canonical SMILES for phenyl-[(1R,2S,6S,7S,8S,9R,10R)-9-tetracyclo[5.3.1.02,6.08,10]undec-3-enyl]methanone is O=C(c1ccccc1)[C@@H]1[C@H]2[C@H]3C[C@H]([C@H]4C=CC[C@H]43)[C@@H]12.
What is the InChIKey of phenyl-[(1R,2S,6S,7S,8S,9R,10R)-9-tetracyclo[5.3.1.02,6.08,10]undec-3-enyl]methanone?
The InChIKey is LANSMEQZKBDYGF-YDLMYCGBSA-N. The full InChI is InChI=1S/C18H18O/c19-18(10-5-2-1-3-6-10)17-15-13-9-14(16(15)17)12-8-4-7-11(12)13/h1-7,11-17H,8-9H2/t11-,12+,13+,14-,15+,16-,17-/m0/s1.
What are the key properties of phenyl-[(1R,2S,6S,7S,8S,9R,10R)-9-tetracyclo[5.3.1.02,6.08,10]undec-3-enyl]methanone?
phenyl-[(1R,2S,6S,7S,8S,9R,10R)-9-tetracyclo[5.3.1.02,6.08,10]undec-3-enyl]methanone has a molecular weight of 250.34 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[(1R,2S,6S,7S,8S,9R,10R)-9-tetracyclo[5.3.1.02,6.08,10]undec-3-enyl]methanone is sourced from PubChem (CID 10106166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).