(1R,2S,7R,8S)-11-(6-methylhept-5-en-2-ylidene)tricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione

C19H22O2 — CID 11781002

IUPAC(1R,2S,7R,8S)-11-(6-methylhept-5-en-2-ylidene)tricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione
SMILESCC(C)=CCC/C(C)=C1\[C@H]2C=C[C@@H]1[C@@H]1C(=O)C=CC(=O)[C@@H]12
InChIInChI=1S/C19H22O2/c1-11(2)5-4-6-12(3)17-13-7-8-14(17)19-16(21)10-9-15(20)18(13)19/h5,7-10,13-14,18-19H,4,6H2,1-3H3/b17-12-/t13-,14+,18+,19-/m0/s1
InChIKeyNROIXQXTTXFRHE-LTIOHHDDSA-N
MW282.38 g/mol
LogP3.81
Rot. Bonds3

About (1R,2S,7R,8S)-11-(6-methylhept-5-en-2-ylidene)tricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione

(1R,2S,7R,8S)-11-(6-methylhept-5-en-2-ylidene)tricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione (PubChem CID 11781002) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is (1R,2S,7R,8S)-11-(6-methylhept-5-en-2-ylidene)tricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione.

Molecular Properties

Compound Name(1R,2S,7R,8S)-11-(6-methylhept-5-en-2-ylidene)tricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione
PubChem CID11781002
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name(1R,2S,7R,8S)-11-(6-methylhept-5-en-2-ylidene)tricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione
SMILESCC(C)=CCC/C(C)=C1\[C@H]2C=C[C@@H]1[C@@H]1C(=O)C=CC(=O)[C@@H]12
InChIInChI=1S/C19H22O2/c1-11(2)5-4-6-12(3)17-13-7-8-14(17)19-16(21)10-9-15(20)18(13)19/h5,7-10,13-14,18-19H,4,6H2,1-3H3/b17-12-/t13-,14+,18+,19-/m0/s1
InChIKeyNROIXQXTTXFRHE-LTIOHHDDSA-N
XLogP3.81
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,2S,7R,8S)-11-(6-methylhept-5-en-2-ylidene)tricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione with MolForge

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Related Compounds

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CID 89001782
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CID 71078570
2-(4-methylpent-3-enyl)-2H-thiophen-5-one
CID 164606316
(2R)-4-(4,8-dimethylnona-3,7-dienyl)-2-hydroxy-2H-furan-5-one
CID 162932378
2-[1-(3,7-dimethylocta-2,6-dienyl)-5-hydroxy-2-oxocyclohex-3-en-1-yl]acetic acid
CID 91517584
2,6-bis[(3E)-4,8-dimethylnona-3,7-dienyl]-4a,9a-dihydroanthracene-9,10-dione;2,7-bis[(3E)-4,8-dimethylnona-3,7-dienyl]-4a,9a-dihydroanthracene-9,10-dione
CID 141478168
(4R,5R)-5-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-4-methoxy-2-methylcyclopent-2-en-1-one
CID 102574886
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CID 54261017
5-[(2E,6E,10E)-12-fluoro-3,7,11-trimethyldodeca-2,6,10-trienyl]-4-hydroxy-6-methylcyclohex-2-en-1-one
CID 122503859
12-chloro-2,6,10-trimethyldodeca-2,6,9-triene
CID 176889443
1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3H-azepin-2-one
CID 151237746
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318

Frequently Asked Questions

What is the IUPAC name of (1R,2S,7R,8S)-11-(6-methylhept-5-en-2-ylidene)tricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione?
The IUPAC name of (1R,2S,7R,8S)-11-(6-methylhept-5-en-2-ylidene)tricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione (CID 11781002) is (1R,2S,7R,8S)-11-(6-methylhept-5-en-2-ylidene)tricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione.
What is the SMILES notation for (1R,2S,7R,8S)-11-(6-methylhept-5-en-2-ylidene)tricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione?
The canonical SMILES for (1R,2S,7R,8S)-11-(6-methylhept-5-en-2-ylidene)tricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione is CC(C)=CCC/C(C)=C1\[C@H]2C=C[C@@H]1[C@@H]1C(=O)C=CC(=O)[C@@H]12.
What is the InChIKey of (1R,2S,7R,8S)-11-(6-methylhept-5-en-2-ylidene)tricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione?
The InChIKey is NROIXQXTTXFRHE-LTIOHHDDSA-N. The full InChI is InChI=1S/C19H22O2/c1-11(2)5-4-6-12(3)17-13-7-8-14(17)19-16(21)10-9-15(20)18(13)19/h5,7-10,13-14,18-19H,4,6H2,1-3H3/b17-12-/t13-,14+,18+,19-/m0/s1.
What are the key properties of (1R,2S,7R,8S)-11-(6-methylhept-5-en-2-ylidene)tricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione?
(1R,2S,7R,8S)-11-(6-methylhept-5-en-2-ylidene)tricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione has a molecular weight of 282.38 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,7R,8S)-11-(6-methylhept-5-en-2-ylidene)tricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione is sourced from PubChem (CID 11781002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).