(10R,12S)-8,11,11,15-tetramethyltetracyclo[7.6.0.02,6.010,12]pentadeca-2(6),14-dien-7-one

C19H26O — CID 11242698

IUPAC(10R,12S)-8,11,11,15-tetramethyltetracyclo[7.6.0.02,6.010,12]pentadeca-2(6),14-dien-7-one
SMILESCC1=CC[C@H]2[C@@H](C3C(C)C(=O)C4=C(CCC4)C13)C2(C)C
InChIInChI=1S/C19H26O/c1-10-8-9-14-17(19(14,3)4)16-11(2)18(20)13-7-5-6-12(13)15(10)16/h8,11,14-17H,5-7,9H2,1-4H3/t11?,14-,15?,16?,17-/m0/s1
InChIKeyXZXQGMRDDNUOLU-KJNWJWNXSA-N
MW270.42 g/mol
LogP4.54
Rot. Bonds

About (10R,12S)-8,11,11,15-tetramethyltetracyclo[7.6.0.02,6.010,12]pentadeca-2(6),14-dien-7-one

(10R,12S)-8,11,11,15-tetramethyltetracyclo[7.6.0.02,6.010,12]pentadeca-2(6),14-dien-7-one (PubChem CID 11242698) has the molecular formula C19H26O and a molecular weight of 270.42 g/mol. Its IUPAC name is (10R,12S)-8,11,11,15-tetramethyltetracyclo[7.6.0.02,6.010,12]pentadeca-2(6),14-dien-7-one.

Molecular Properties

Compound Name(10R,12S)-8,11,11,15-tetramethyltetracyclo[7.6.0.02,6.010,12]pentadeca-2(6),14-dien-7-one
PubChem CID11242698
Molecular FormulaC19H26O
Molecular Weight270.42 g/mol
Exact Mass270.20
IUPAC Name(10R,12S)-8,11,11,15-tetramethyltetracyclo[7.6.0.02,6.010,12]pentadeca-2(6),14-dien-7-one
SMILESCC1=CC[C@H]2[C@@H](C3C(C)C(=O)C4=C(CCC4)C13)C2(C)C
InChIInChI=1S/C19H26O/c1-10-8-9-14-17(19(14,3)4)16-11(2)18(20)13-7-5-6-12(13)15(10)16/h8,11,14-17H,5-7,9H2,1-4H3/t11?,14-,15?,16?,17-/m0/s1
InChIKeyXZXQGMRDDNUOLU-KJNWJWNXSA-N
XLogP4.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.54
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

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CID 162960557
(3aS,6aS)-3,3,6-trimethyl-2,3a,4,6a-tetrahydropentalen-1-one
CID 95565198
(4R,8S)-4,8,11,11-tetramethyl-15-methylidenetetracyclo[7.6.0.02,6.010,12]pentadec-2(6)-ene-3,7-dione
CID 102192689
(1S,4S,5S,8S,9R,10R,12S)-5-hydroxy-4,8,11,11-tetramethyl-15-methylidenetetracyclo[7.6.0.02,6.010,12]pentadec-2(6)-ene-3,7-dione
CID 139292016
(1aR,7bR)-1,1,4,7-tetramethyl-1a,2,3,5,7a,7b-hexahydrocyclopropa[e]azulene
CID 91749827
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CID 11148642
6,8-dimethyltricyclo[4.4.0.02,7]dec-8-en-3-one
CID 130038331
(2R,6S,7S)-11-hydroxy-2,10-dimethyltricyclo[5.4.0.02,6]undec-9-en-3-one
CID 137474085
8-methyl-2,3,5,6,7,8-hexahydro-1H-azulen-4-one
CID 130028950
5-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one
CID 12612699
(1S,2S,4S,12S)-3,3,12-trimethyl-7-methylidene-10-oxatricyclo[6.4.0.02,4]dodec-8-en-11-one
CID 102446059
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Frequently Asked Questions

What is the IUPAC name of (10R,12S)-8,11,11,15-tetramethyltetracyclo[7.6.0.02,6.010,12]pentadeca-2(6),14-dien-7-one?
The IUPAC name of (10R,12S)-8,11,11,15-tetramethyltetracyclo[7.6.0.02,6.010,12]pentadeca-2(6),14-dien-7-one (CID 11242698) is (10R,12S)-8,11,11,15-tetramethyltetracyclo[7.6.0.02,6.010,12]pentadeca-2(6),14-dien-7-one.
What is the SMILES notation for (10R,12S)-8,11,11,15-tetramethyltetracyclo[7.6.0.02,6.010,12]pentadeca-2(6),14-dien-7-one?
The canonical SMILES for (10R,12S)-8,11,11,15-tetramethyltetracyclo[7.6.0.02,6.010,12]pentadeca-2(6),14-dien-7-one is CC1=CC[C@H]2[C@@H](C3C(C)C(=O)C4=C(CCC4)C13)C2(C)C.
What is the InChIKey of (10R,12S)-8,11,11,15-tetramethyltetracyclo[7.6.0.02,6.010,12]pentadeca-2(6),14-dien-7-one?
The InChIKey is XZXQGMRDDNUOLU-KJNWJWNXSA-N. The full InChI is InChI=1S/C19H26O/c1-10-8-9-14-17(19(14,3)4)16-11(2)18(20)13-7-5-6-12(13)15(10)16/h8,11,14-17H,5-7,9H2,1-4H3/t11?,14-,15?,16?,17-/m0/s1.
What are the key properties of (10R,12S)-8,11,11,15-tetramethyltetracyclo[7.6.0.02,6.010,12]pentadeca-2(6),14-dien-7-one?
(10R,12S)-8,11,11,15-tetramethyltetracyclo[7.6.0.02,6.010,12]pentadeca-2(6),14-dien-7-one has a molecular weight of 270.42 g/mol, XLogP of 4.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (10R,12S)-8,11,11,15-tetramethyltetracyclo[7.6.0.02,6.010,12]pentadeca-2(6),14-dien-7-one is sourced from PubChem (CID 11242698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).