3,7,11,11-tetramethylbicyclo[8.1.0]undec-2-ene

C15H26 — CID 162801028

IUPAC3,7,11,11-tetramethylbicyclo[8.1.0]undec-2-ene
SMILESCC1=CC2C(CCC(C)CCC1)C2(C)C
InChIInChI=1S/C15H26/c1-11-6-5-7-12(2)10-14-13(9-8-11)15(14,3)4/h10-11,13-14H,5-9H2,1-4H3
InChIKeyABIRIBLTONBIQJ-UHFFFAOYSA-N
MW206.37 g/mol
LogP4.81
Rot. Bonds

About 3,7,11,11-tetramethylbicyclo[8.1.0]undec-2-ene

3,7,11,11-tetramethylbicyclo[8.1.0]undec-2-ene (PubChem CID 162801028) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is 3,7,11,11-tetramethylbicyclo[8.1.0]undec-2-ene.

Molecular Properties

Compound Name3,7,11,11-tetramethylbicyclo[8.1.0]undec-2-ene
PubChem CID162801028
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name3,7,11,11-tetramethylbicyclo[8.1.0]undec-2-ene
SMILESCC1=CC2C(CCC(C)CCC1)C2(C)C
InChIInChI=1S/C15H26/c1-11-6-5-7-12(2)10-14-13(9-8-11)15(14,3)4/h10-11,13-14H,5-9H2,1-4H3
InChIKeyABIRIBLTONBIQJ-UHFFFAOYSA-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,2Z,6E,10R)-3,11,11-trimethylbicyclo[8.1.0]undeca-2,6-diene
CID 162901796
(1S,2E,6E)-3,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene
CID 164666823
acetyl acetate;3,7,7-trimethylbicyclo[4.1.0]hept-2-ene
CID 174696157
(1S,6R,14R)-4,8,12,15,15-pentamethylbicyclo[12.1.0]pentadeca-4,8,12-trien-6-ol
CID 162866573
(1R,2E,6E,14R)-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-2,6-diene-4,9-dione
CID 46186112
(1R,3E,5R,7S,10Z,12S,13S,14S)-1,13-dihydroxy-3,6,6,10,14-pentamethyltricyclo[10.3.0.05,7]pentadeca-3,10-dien-2-one
CID 71561554
[(1R,4R,6E,10S)-3,7,11,11-tetramethyl-4-bicyclo[8.1.0]undeca-2,6-dienyl] acetate
CID 163185387
[(1R,6R)-7,7-dimethyl-3-bicyclo[4.1.0]hept-2-enyl]methanol
CID 98049886
3-iodo-1-methylcyclohexene
CID 86119849
(3Z,10Z)-1-hydroxy-3,6,6,10,14-pentamethyltricyclo[10.3.0.05,7]pentadeca-3,10-diene-2,13-dione
CID 121463173
1-hydroxy-3,6,6,10,14-pentamethyltricyclo[10.3.0.05,7]pentadeca-3,10-diene-2,13-dione
CID 163033582
(4aS,6S,9aR)-2,6,9,9-tetramethyl-5-methylidene-4,4a,6,7,8,9a-hexahydro-3H-benzo[7]annulene
CID 11241437

Frequently Asked Questions

What is the IUPAC name of 3,7,11,11-tetramethylbicyclo[8.1.0]undec-2-ene?
The IUPAC name of 3,7,11,11-tetramethylbicyclo[8.1.0]undec-2-ene (CID 162801028) is 3,7,11,11-tetramethylbicyclo[8.1.0]undec-2-ene.
What is the SMILES notation for 3,7,11,11-tetramethylbicyclo[8.1.0]undec-2-ene?
The canonical SMILES for 3,7,11,11-tetramethylbicyclo[8.1.0]undec-2-ene is CC1=CC2C(CCC(C)CCC1)C2(C)C.
What is the InChIKey of 3,7,11,11-tetramethylbicyclo[8.1.0]undec-2-ene?
The InChIKey is ABIRIBLTONBIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26/c1-11-6-5-7-12(2)10-14-13(9-8-11)15(14,3)4/h10-11,13-14H,5-9H2,1-4H3.
What are the key properties of 3,7,11,11-tetramethylbicyclo[8.1.0]undec-2-ene?
3,7,11,11-tetramethylbicyclo[8.1.0]undec-2-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 3,7,11,11-tetramethylbicyclo[8.1.0]undec-2-ene is sourced from PubChem (CID 162801028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).