(1R,2S,6S,7S)-4-(cyclohexen-1-yl)tricyclo[5.2.1.02,6]dec-4-en-3-one

C16H20O — CID 11253181

IUPAC(1R,2S,6S,7S)-4-(cyclohexen-1-yl)tricyclo[5.2.1.02,6]dec-4-en-3-one
SMILESO=C1C(C2=CCCCC2)=C[C@@H]2[C@H]3CC[C@H](C3)[C@H]12
InChIInChI=1S/C16H20O/c17-16-14(10-4-2-1-3-5-10)9-13-11-6-7-12(8-11)15(13)16/h4,9,11-13,15H,1-3,5-8H2/t11-,12+,13+,15-/m0/s1
InChIKeyJGDUOGMACNTMOW-JLNYLFASSA-N
MW228.33 g/mol
LogP3.66
Rot. Bonds1

About (1R,2S,6S,7S)-4-(cyclohexen-1-yl)tricyclo[5.2.1.02,6]dec-4-en-3-one

(1R,2S,6S,7S)-4-(cyclohexen-1-yl)tricyclo[5.2.1.02,6]dec-4-en-3-one (PubChem CID 11253181) has the molecular formula C16H20O and a molecular weight of 228.33 g/mol. Its IUPAC name is (1R,2S,6S,7S)-4-(cyclohexen-1-yl)tricyclo[5.2.1.02,6]dec-4-en-3-one.

Molecular Properties

Compound Name(1R,2S,6S,7S)-4-(cyclohexen-1-yl)tricyclo[5.2.1.02,6]dec-4-en-3-one
PubChem CID11253181
Molecular FormulaC16H20O
Molecular Weight228.33 g/mol
Exact Mass228.15
IUPAC Name(1R,2S,6S,7S)-4-(cyclohexen-1-yl)tricyclo[5.2.1.02,6]dec-4-en-3-one
SMILESO=C1C(C2=CCCCC2)=C[C@@H]2[C@H]3CC[C@H](C3)[C@H]12
InChIInChI=1S/C16H20O/c17-16-14(10-4-2-1-3-5-10)9-13-11-6-7-12(8-11)15(13)16/h4,9,11-13,15H,1-3,5-8H2/t11-,12+,13+,15-/m0/s1
InChIKeyJGDUOGMACNTMOW-JLNYLFASSA-N
XLogP3.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1R,2S,6S,7S)-4-(cyclohexen-1-yl)tricyclo[5.2.1.02,6]dec-4-en-3-one with MolForge

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Related Compounds

4-trimethylsilyltricyclo[5.2.1.02,6]dec-4-en-3-one
CID 72789804
2-(cyclohexen-1-yl)cyclohex-2-en-1-one
CID 122375169
2-(cyclohepten-1-yl)cyclopent-2-en-1-one
CID 130164243
1-(cyclodecen-1-yl)cyclodecene
CID 54296371
(1E)-1-[(1E)-cyclopentadecen-1-yl]cyclopentadecene
CID 139760940
4-hexyltricyclo[5.2.1.02,6]dec-4-en-3-one
CID 14247877
(1S,2R,6R,7R)-4-pentyltricyclo[5.2.1.02,6]dec-4-en-3-one
CID 11790668
(1S,2R,8S,9R)-tricyclo[7.2.1.02,8]dodecan-3-one
CID 15638504
1-(cyclopenten-1-yl)cyclooctene
CID 91463872
(1R,2R,4S,5S,8R,9R,11R,12R)-pentacyclo[10.2.1.15,8.02,11.04,9]hexadecane-3,10-dione
CID 98477807
(8E)-bicyclo[12.1.0]pentadec-8-en-7-one
CID 87257523
6-(cycloocten-1-yl)-2,3,4,5-tetrahydrooxocin-8-one
CID 67426951

Frequently Asked Questions

What is the IUPAC name of (1R,2S,6S,7S)-4-(cyclohexen-1-yl)tricyclo[5.2.1.02,6]dec-4-en-3-one?
The IUPAC name of (1R,2S,6S,7S)-4-(cyclohexen-1-yl)tricyclo[5.2.1.02,6]dec-4-en-3-one (CID 11253181) is (1R,2S,6S,7S)-4-(cyclohexen-1-yl)tricyclo[5.2.1.02,6]dec-4-en-3-one.
What is the SMILES notation for (1R,2S,6S,7S)-4-(cyclohexen-1-yl)tricyclo[5.2.1.02,6]dec-4-en-3-one?
The canonical SMILES for (1R,2S,6S,7S)-4-(cyclohexen-1-yl)tricyclo[5.2.1.02,6]dec-4-en-3-one is O=C1C(C2=CCCCC2)=C[C@@H]2[C@H]3CC[C@H](C3)[C@H]12.
What is the InChIKey of (1R,2S,6S,7S)-4-(cyclohexen-1-yl)tricyclo[5.2.1.02,6]dec-4-en-3-one?
The InChIKey is JGDUOGMACNTMOW-JLNYLFASSA-N. The full InChI is InChI=1S/C16H20O/c17-16-14(10-4-2-1-3-5-10)9-13-11-6-7-12(8-11)15(13)16/h4,9,11-13,15H,1-3,5-8H2/t11-,12+,13+,15-/m0/s1.
What are the key properties of (1R,2S,6S,7S)-4-(cyclohexen-1-yl)tricyclo[5.2.1.02,6]dec-4-en-3-one?
(1R,2S,6S,7S)-4-(cyclohexen-1-yl)tricyclo[5.2.1.02,6]dec-4-en-3-one has a molecular weight of 228.33 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6S,7S)-4-(cyclohexen-1-yl)tricyclo[5.2.1.02,6]dec-4-en-3-one is sourced from PubChem (CID 11253181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).