(1R,8R,9R)-4,8,11,11-tetramethylbicyclo[7.2.0]undec-4-ene

C15H26 — CID 91099297

IUPAC(1R,8R,9R)-4,8,11,11-tetramethylbicyclo[7.2.0]undec-4-ene
SMILESCC1=CCC[C@@H](C)[C@H]2CC(C)(C)[C@@H]2CC1
InChIInChI=1S/C15H26/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,12-14H,5,7-10H2,1-4H3/t12-,13-,14-/m1/s1
InChIKeyDNKZFOZPGORSGH-MGPQQGTHSA-N
MW206.37 g/mol
LogP4.81
Rot. Bonds

About (1R,8R,9R)-4,8,11,11-tetramethylbicyclo[7.2.0]undec-4-ene

(1R,8R,9R)-4,8,11,11-tetramethylbicyclo[7.2.0]undec-4-ene (PubChem CID 91099297) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is (1R,8R,9R)-4,8,11,11-tetramethylbicyclo[7.2.0]undec-4-ene.

Molecular Properties

Compound Name(1R,8R,9R)-4,8,11,11-tetramethylbicyclo[7.2.0]undec-4-ene
PubChem CID91099297
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name(1R,8R,9R)-4,8,11,11-tetramethylbicyclo[7.2.0]undec-4-ene
SMILESCC1=CCC[C@@H](C)[C@H]2CC(C)(C)[C@@H]2CC1
InChIInChI=1S/C15H26/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,12-14H,5,7-10H2,1-4H3/t12-,13-,14-/m1/s1
InChIKeyDNKZFOZPGORSGH-MGPQQGTHSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.37
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1R,4Z,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene
CID 5281522
6,10,10-trimethylbicyclo[7.2.0]undec-5-en-2-one
CID 4033896
(1S,4E)-5,9,9-trimethyl-2-methylidenebicyclo[6.2.0]dec-4-ene
CID 16758050
(2E,6Z)-2,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene
CID 91749786
(1S,2E,6E)-3,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene
CID 164666823
3a,6,10-trimethyl-1-propan-2-yl-3,5,6,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulene-2,4-dione
CID 72740040
5-methylcyclooct-5-ene-1,2-diol
CID 68741308
(1Z,5E)-9-methoxy-2,5,10-trimethylcyclododeca-1,5-diene
CID 175990247
(4E,8E,11S,12R)-4,8,11,12,15-pentamethylbicyclo[9.3.1]pentadeca-1(15),4,8-triene
CID 11334785
4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-en-10-ol
CID 162863170
1-[(1R,8S)-7,10,10-trimethyl-4-bicyclo[6.2.0]decanyl]ethanone
CID 121416110
1,5-dimethylcyclohexene
CID 520362

Frequently Asked Questions

What is the IUPAC name of (1R,8R,9R)-4,8,11,11-tetramethylbicyclo[7.2.0]undec-4-ene?
The IUPAC name of (1R,8R,9R)-4,8,11,11-tetramethylbicyclo[7.2.0]undec-4-ene (CID 91099297) is (1R,8R,9R)-4,8,11,11-tetramethylbicyclo[7.2.0]undec-4-ene.
What is the SMILES notation for (1R,8R,9R)-4,8,11,11-tetramethylbicyclo[7.2.0]undec-4-ene?
The canonical SMILES for (1R,8R,9R)-4,8,11,11-tetramethylbicyclo[7.2.0]undec-4-ene is CC1=CCC[C@@H](C)[C@H]2CC(C)(C)[C@@H]2CC1.
What is the InChIKey of (1R,8R,9R)-4,8,11,11-tetramethylbicyclo[7.2.0]undec-4-ene?
The InChIKey is DNKZFOZPGORSGH-MGPQQGTHSA-N. The full InChI is InChI=1S/C15H26/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,12-14H,5,7-10H2,1-4H3/t12-,13-,14-/m1/s1.
What are the key properties of (1R,8R,9R)-4,8,11,11-tetramethylbicyclo[7.2.0]undec-4-ene?
(1R,8R,9R)-4,8,11,11-tetramethylbicyclo[7.2.0]undec-4-ene has a molecular weight of 206.37 g/mol, XLogP of 4.81, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8R,9R)-4,8,11,11-tetramethylbicyclo[7.2.0]undec-4-ene is sourced from PubChem (CID 91099297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).