(1R,2Z,6E,10R)-3,11,11-trimethylbicyclo[8.1.0]undeca-2,6-diene

C14H22 — CID 162901796

IUPAC(1R,2Z,6E,10R)-3,11,11-trimethylbicyclo[8.1.0]undeca-2,6-diene
SMILESC/C1=C/[C@@H]2[C@@H](CC/C=C/CC1)C2(C)C
InChIInChI=1S/C14H22/c1-11-8-6-4-5-7-9-12-13(10-11)14(12,2)3/h4-5,10,12-13H,6-9H2,1-3H3/b5-4+,11-10-/t12-,13-/m1/s1
InChIKeyUHDKBUSKUVYWQE-FZVKKVIMSA-N
MW190.33 g/mol
LogP4.34
Rot. Bonds

About (1R,2Z,6E,10R)-3,11,11-trimethylbicyclo[8.1.0]undeca-2,6-diene

(1R,2Z,6E,10R)-3,11,11-trimethylbicyclo[8.1.0]undeca-2,6-diene (PubChem CID 162901796) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is (1R,2Z,6E,10R)-3,11,11-trimethylbicyclo[8.1.0]undeca-2,6-diene.

Molecular Properties

Compound Name(1R,2Z,6E,10R)-3,11,11-trimethylbicyclo[8.1.0]undeca-2,6-diene
PubChem CID162901796
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name(1R,2Z,6E,10R)-3,11,11-trimethylbicyclo[8.1.0]undeca-2,6-diene
SMILESC/C1=C/[C@@H]2[C@@H](CC/C=C/CC1)C2(C)C
InChIInChI=1S/C14H22/c1-11-8-6-4-5-7-9-12-13(10-11)14(12,2)3/h4-5,10,12-13H,6-9H2,1-3H3/b5-4+,11-10-/t12-,13-/m1/s1
InChIKeyUHDKBUSKUVYWQE-FZVKKVIMSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.34
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,2E,6E)-3,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene
CID 164666823
(1S,6R,14R)-4,8,12,15,15-pentamethylbicyclo[12.1.0]pentadeca-4,8,12-trien-6-ol
CID 162866573
3,7,11,11-tetramethylbicyclo[8.1.0]undec-2-ene
CID 162801028
acetyl acetate;3,7,7-trimethylbicyclo[4.1.0]hept-2-ene
CID 174696157
(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
(1R,2Z,6E,10E,14S)-4-hydroxy-7,11,15,15-tetramethylbicyclo[12.1.0]pentadeca-2,6,10-triene-3-carbaldehyde
CID 10638118
(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
1,3-dimethylcyclohepta-1,4-diene
CID 143703321
1,3-dimethylcyclohepta-1,4-diene;ethane
CID 145039221

Frequently Asked Questions

What is the IUPAC name of (1R,2Z,6E,10R)-3,11,11-trimethylbicyclo[8.1.0]undeca-2,6-diene?
The IUPAC name of (1R,2Z,6E,10R)-3,11,11-trimethylbicyclo[8.1.0]undeca-2,6-diene (CID 162901796) is (1R,2Z,6E,10R)-3,11,11-trimethylbicyclo[8.1.0]undeca-2,6-diene.
What is the SMILES notation for (1R,2Z,6E,10R)-3,11,11-trimethylbicyclo[8.1.0]undeca-2,6-diene?
The canonical SMILES for (1R,2Z,6E,10R)-3,11,11-trimethylbicyclo[8.1.0]undeca-2,6-diene is C/C1=C/[C@@H]2[C@@H](CC/C=C/CC1)C2(C)C.
What is the InChIKey of (1R,2Z,6E,10R)-3,11,11-trimethylbicyclo[8.1.0]undeca-2,6-diene?
The InChIKey is UHDKBUSKUVYWQE-FZVKKVIMSA-N. The full InChI is InChI=1S/C14H22/c1-11-8-6-4-5-7-9-12-13(10-11)14(12,2)3/h4-5,10,12-13H,6-9H2,1-3H3/b5-4+,11-10-/t12-,13-/m1/s1.
What are the key properties of (1R,2Z,6E,10R)-3,11,11-trimethylbicyclo[8.1.0]undeca-2,6-diene?
(1R,2Z,6E,10R)-3,11,11-trimethylbicyclo[8.1.0]undeca-2,6-diene has a molecular weight of 190.33 g/mol, XLogP of 4.34, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2Z,6E,10R)-3,11,11-trimethylbicyclo[8.1.0]undeca-2,6-diene is sourced from PubChem (CID 162901796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).