(1S,5E,10S)-1,5,8,8-tetramethylbicyclo[8.1.0]undec-5-en-2-one

C15H24O — CID 42608140

IUPAC(1S,5E,10S)-1,5,8,8-tetramethylbicyclo[8.1.0]undec-5-en-2-one
SMILESC/C1=C\CC(C)(C)C[C@H]2C[C@]2(C)C(=O)CC1
InChIInChI=1S/C15H24O/c1-11-5-6-13(16)15(4)10-12(15)9-14(2,3)8-7-11/h7,12H,5-6,8-10H2,1-4H3/b11-7+/t12-,15-/m0/s1
InChIKeyJKPHAPPVNYODTG-WYJARBCXSA-N
MW220.36 g/mol
LogP4.13
Rot. Bonds

About (1S,5E,10S)-1,5,8,8-tetramethylbicyclo[8.1.0]undec-5-en-2-one

(1S,5E,10S)-1,5,8,8-tetramethylbicyclo[8.1.0]undec-5-en-2-one (PubChem CID 42608140) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (1S,5E,10S)-1,5,8,8-tetramethylbicyclo[8.1.0]undec-5-en-2-one.

Molecular Properties

Compound Name(1S,5E,10S)-1,5,8,8-tetramethylbicyclo[8.1.0]undec-5-en-2-one
PubChem CID42608140
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(1S,5E,10S)-1,5,8,8-tetramethylbicyclo[8.1.0]undec-5-en-2-one
SMILESC/C1=C\CC(C)(C)C[C@H]2C[C@]2(C)C(=O)CC1
InChIInChI=1S/C15H24O/c1-11-5-6-13(16)15(4)10-12(15)9-14(2,3)8-7-11/h7,12H,5-6,8-10H2,1-4H3/b11-7+/t12-,15-/m0/s1
InChIKeyJKPHAPPVNYODTG-WYJARBCXSA-N
XLogP4.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.13
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

6,10,10-trimethylbicyclo[7.2.0]undec-5-en-2-one
CID 4033896
(4aR,8aS)-7,8a-dimethyl-2,3,4,4a,5,8-hexahydronaphthalen-1-one
CID 130978861
3-chloro-1,4,4a,7-tetramethyl-4,5,8,9-tetrahydro-3H-benzo[7]annulen-2-one
CID 74051470
4-ethyl-6,8a-dimethyl-2,3,4,4a,5,8-hexahydronaphthalen-1-one
CID 23103006
(3S,4R,4aR)-3-chloro-1,4,4a,7-tetramethyl-4,5,8,9-tetrahydro-3H-benzo[7]annulen-2-one
CID 23425284
(1S,6R)-1-methylbicyclo[4.2.0]octane-2,5-dione
CID 130906162
2,2,4a,6a,9-pentamethyl-1,3,4,5,6,7,10,11-octahydrocyclohepta[a]naphthalene
CID 162814665
3-methoxy-1,4,4a,7-tetramethyl-4,5,8,9-tetrahydro-3H-benzo[7]annulen-2-one
CID 85107318
2,5-dimethylcyclohept-4-en-1-one
CID 11815431
1,8-dimethylspiro[4.5]dec-8-en-4-one
CID 10997609
(1S,3Z,7R)-4,11,11-trimethylbicyclo[5.3.1]undec-3-en-8-one
CID 10998207
4,4,7-trimethylcycloundeca-2,6,10-trien-1-one
CID 74348357

Frequently Asked Questions

What is the IUPAC name of (1S,5E,10S)-1,5,8,8-tetramethylbicyclo[8.1.0]undec-5-en-2-one?
The IUPAC name of (1S,5E,10S)-1,5,8,8-tetramethylbicyclo[8.1.0]undec-5-en-2-one (CID 42608140) is (1S,5E,10S)-1,5,8,8-tetramethylbicyclo[8.1.0]undec-5-en-2-one.
What is the SMILES notation for (1S,5E,10S)-1,5,8,8-tetramethylbicyclo[8.1.0]undec-5-en-2-one?
The canonical SMILES for (1S,5E,10S)-1,5,8,8-tetramethylbicyclo[8.1.0]undec-5-en-2-one is C/C1=C\CC(C)(C)C[C@H]2C[C@]2(C)C(=O)CC1.
What is the InChIKey of (1S,5E,10S)-1,5,8,8-tetramethylbicyclo[8.1.0]undec-5-en-2-one?
The InChIKey is JKPHAPPVNYODTG-WYJARBCXSA-N. The full InChI is InChI=1S/C15H24O/c1-11-5-6-13(16)15(4)10-12(15)9-14(2,3)8-7-11/h7,12H,5-6,8-10H2,1-4H3/b11-7+/t12-,15-/m0/s1.
What are the key properties of (1S,5E,10S)-1,5,8,8-tetramethylbicyclo[8.1.0]undec-5-en-2-one?
(1S,5E,10S)-1,5,8,8-tetramethylbicyclo[8.1.0]undec-5-en-2-one has a molecular weight of 220.36 g/mol, XLogP of 4.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5E,10S)-1,5,8,8-tetramethylbicyclo[8.1.0]undec-5-en-2-one is sourced from PubChem (CID 42608140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).