(1S,2E,6E)-3,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene

C15H24 — CID 164666823

IUPAC(1S,2E,6E)-3,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene
SMILESC/C1=C\[C@H]2C(CC/C(C)=C/CC1)C2(C)C
InChIInChI=1S/C15H24/c1-11-6-5-7-12(2)10-14-13(9-8-11)15(14,3)4/h6,10,13-14H,5,7-9H2,1-4H3/b11-6+,12-10+/t13?,14-/m0/s1
InChIKeyVPDZRSSKICPUEY-QRYOMIDMSA-N
MW204.36 g/mol
LogP4.73
Rot. Bonds

About (1S,2E,6E)-3,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene

(1S,2E,6E)-3,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene (PubChem CID 164666823) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (1S,2E,6E)-3,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene.

Molecular Properties

Compound Name(1S,2E,6E)-3,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene
PubChem CID164666823
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(1S,2E,6E)-3,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene
SMILESC/C1=C\[C@H]2C(CC/C(C)=C/CC1)C2(C)C
InChIInChI=1S/C15H24/c1-11-6-5-7-12(2)10-14-13(9-8-11)15(14,3)4/h6,10,13-14H,5,7-9H2,1-4H3/b11-6+,12-10+/t13?,14-/m0/s1
InChIKeyVPDZRSSKICPUEY-QRYOMIDMSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.73
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

(1S,6R,14R)-4,8,12,15,15-pentamethylbicyclo[12.1.0]pentadeca-4,8,12-trien-6-ol
CID 162866573
(1R,2Z,6E,10R)-3,11,11-trimethylbicyclo[8.1.0]undeca-2,6-diene
CID 162901796
(1R,2Z,6E,10E,14S)-4-hydroxy-7,11,15,15-tetramethylbicyclo[12.1.0]pentadeca-2,6,10-triene-3-carbaldehyde
CID 10638118
8,12,12-trimethylbicyclo[9.1.0]dodeca-2,7-dien-4-one
CID 74819442
acetyl acetate;3,7,7-trimethylbicyclo[4.1.0]hept-2-ene
CID 174696157
[(1R,4R,6E,10S)-3,7,11,11-tetramethyl-4-bicyclo[8.1.0]undeca-2,6-dienyl] acetate
CID 163185387
(1R,2Z,6Z,10S,11R)-3,7,11-trimethyl-11-(4-methylpent-3-enyl)bicyclo[8.1.0]undeca-2,6-diene
CID 171666172
3,7,11,11-tetramethylbicyclo[8.1.0]undec-2-ene
CID 162801028
(2E,6Z)-2,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene
CID 91749786
(1E,5E)-1,5,9-trimethylcyclododeca-1,5,9-triene
CID 139597866
(1R,9E,13S)-6,10,14,14-tetramethyl-3-oxabicyclo[11.1.0]tetradeca-5,9-dien-2-one
CID 42619119
4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-en-10-ol
CID 162863170

Frequently Asked Questions

What is the IUPAC name of (1S,2E,6E)-3,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene?
The IUPAC name of (1S,2E,6E)-3,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene (CID 164666823) is (1S,2E,6E)-3,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene.
What is the SMILES notation for (1S,2E,6E)-3,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene?
The canonical SMILES for (1S,2E,6E)-3,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene is C/C1=C\[C@H]2C(CC/C(C)=C/CC1)C2(C)C.
What is the InChIKey of (1S,2E,6E)-3,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene?
The InChIKey is VPDZRSSKICPUEY-QRYOMIDMSA-N. The full InChI is InChI=1S/C15H24/c1-11-6-5-7-12(2)10-14-13(9-8-11)15(14,3)4/h6,10,13-14H,5,7-9H2,1-4H3/b11-6+,12-10+/t13?,14-/m0/s1.
What are the key properties of (1S,2E,6E)-3,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene?
(1S,2E,6E)-3,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene has a molecular weight of 204.36 g/mol, XLogP of 4.73, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2E,6E)-3,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene is sourced from PubChem (CID 164666823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).