(1R,2R,5S,6R)-6-ethenyl-1,2,6-trimethyl-9-methylidenebicyclo[3.3.1]nonane

C15H24 — CID 22297478

IUPAC(1R,2R,5S,6R)-6-ethenyl-1,2,6-trimethyl-9-methylidenebicyclo[3.3.1]nonane
SMILESC=C[C@@]1(C)CC[C@@]2(C)C(=C)[C@H]1CC[C@H]2C
InChIInChI=1S/C15H24/c1-6-14(4)9-10-15(5)11(2)7-8-13(14)12(15)3/h6,11,13H,1,3,7-10H2,2,4-5H3/t11-,13-,14+,15-/m1/s1
InChIKeyUYQNCGFXZZVAAK-REBRKWNGSA-N
MW204.36 g/mol
LogP4.58
Rot. Bonds1

About (1R,2R,5S,6R)-6-ethenyl-1,2,6-trimethyl-9-methylidenebicyclo[3.3.1]nonane

(1R,2R,5S,6R)-6-ethenyl-1,2,6-trimethyl-9-methylidenebicyclo[3.3.1]nonane (PubChem CID 22297478) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (1R,2R,5S,6R)-6-ethenyl-1,2,6-trimethyl-9-methylidenebicyclo[3.3.1]nonane.

Molecular Properties

Compound Name(1R,2R,5S,6R)-6-ethenyl-1,2,6-trimethyl-9-methylidenebicyclo[3.3.1]nonane
PubChem CID22297478
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(1R,2R,5S,6R)-6-ethenyl-1,2,6-trimethyl-9-methylidenebicyclo[3.3.1]nonane
SMILESC=C[C@@]1(C)CC[C@@]2(C)C(=C)[C@H]1CC[C@H]2C
InChIInChI=1S/C15H24/c1-6-14(4)9-10-15(5)11(2)7-8-13(14)12(15)3/h6,11,13H,1,3,7-10H2,2,4-5H3/t11-,13-,14+,15-/m1/s1
InChIKeyUYQNCGFXZZVAAK-REBRKWNGSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.58
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,2S,4R,5S,8R)-8-ethenyl-4,5,8-trimethyl-9-methylidenebicyclo[3.3.1]nonan-2-ol
CID 42636546
(1S)-1-[(1R,2S,5S,6R)-2,5,6-trimethyl-9-methylidene-2-bicyclo[3.3.1]nonanyl]ethane-1,2-diol
CID 11118125
2-hydroxy-1-[(1R,2S,5S,6R)-2,5,6-trimethyl-9-methylidene-2-bicyclo[3.3.1]nonanyl]ethanone
CID 162974534
(1S,4S,5S,7aR)-5-ethenyl-1,4,5,7a-tetramethyl-2,4,6,7-tetrahydro-1H-indene
CID 163047709
(1S,2R,3R)-3-ethenyl-3-methylcyclohexane-1,2-diol
CID 155705531
(1S,2S,8R)-2,7,7-trimethyl-6-methylidenetricyclo[6.2.1.01,5]undecane
CID 6427544
3-ethenyl-3,6,6,7-tetramethyl-2,3a,4,5-tetrahydro-1H-indene
CID 605018
(1R,4aR,8R,8aS,10aS)-8-ethenyl-1,4a,8-trimethyl-3,4,6,7,8a,9,10,10a-octahydro-2H-phenanthrene-1-carbaldehyde
CID 58330134
(3aS)-1,7a-dimethyl-4-methylidene-2,3,3a,5,6,7-hexahydro-1H-indene
CID 142040574
1,1,3-trimethyl-2-methylidenecyclopentane
CID 102022448
8-ethenyl-2,4,8-trimethyl-4-(4-methylpenta-1,3-dienyl)bicyclo[3.3.1]non-2-ene
CID 163113446
(6-ethenyl-2,4,6-trimethyl-2-bicyclo[3.3.1]non-3-enyl)methanol
CID 138980966

Frequently Asked Questions

What is the IUPAC name of (1R,2R,5S,6R)-6-ethenyl-1,2,6-trimethyl-9-methylidenebicyclo[3.3.1]nonane?
The IUPAC name of (1R,2R,5S,6R)-6-ethenyl-1,2,6-trimethyl-9-methylidenebicyclo[3.3.1]nonane (CID 22297478) is (1R,2R,5S,6R)-6-ethenyl-1,2,6-trimethyl-9-methylidenebicyclo[3.3.1]nonane.
What is the SMILES notation for (1R,2R,5S,6R)-6-ethenyl-1,2,6-trimethyl-9-methylidenebicyclo[3.3.1]nonane?
The canonical SMILES for (1R,2R,5S,6R)-6-ethenyl-1,2,6-trimethyl-9-methylidenebicyclo[3.3.1]nonane is C=C[C@@]1(C)CC[C@@]2(C)C(=C)[C@H]1CC[C@H]2C.
What is the InChIKey of (1R,2R,5S,6R)-6-ethenyl-1,2,6-trimethyl-9-methylidenebicyclo[3.3.1]nonane?
The InChIKey is UYQNCGFXZZVAAK-REBRKWNGSA-N. The full InChI is InChI=1S/C15H24/c1-6-14(4)9-10-15(5)11(2)7-8-13(14)12(15)3/h6,11,13H,1,3,7-10H2,2,4-5H3/t11-,13-,14+,15-/m1/s1.
What are the key properties of (1R,2R,5S,6R)-6-ethenyl-1,2,6-trimethyl-9-methylidenebicyclo[3.3.1]nonane?
(1R,2R,5S,6R)-6-ethenyl-1,2,6-trimethyl-9-methylidenebicyclo[3.3.1]nonane has a molecular weight of 204.36 g/mol, XLogP of 4.58, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5S,6R)-6-ethenyl-1,2,6-trimethyl-9-methylidenebicyclo[3.3.1]nonane is sourced from PubChem (CID 22297478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).