(1S,4E)-5,9,9-trimethyl-2-methylidenebicyclo[6.2.0]dec-4-ene

C14H22 — CID 16758050

IUPAC(1S,4E)-5,9,9-trimethyl-2-methylidenebicyclo[6.2.0]dec-4-ene
SMILESC=C1C/C=C(/C)CCC2[C@@H]1CC2(C)C
InChIInChI=1S/C14H22/c1-10-5-7-11(2)12-9-14(3,4)13(12)8-6-10/h5,12-13H,2,6-9H2,1,3-4H3/b10-5-/t12-,13?/m1/s1
InChIKeyINOSMXBKABLUIL-UUCUAZIOSA-N
MW190.33 g/mol
LogP4.34
Rot. Bonds

About (1S,4E)-5,9,9-trimethyl-2-methylidenebicyclo[6.2.0]dec-4-ene

(1S,4E)-5,9,9-trimethyl-2-methylidenebicyclo[6.2.0]dec-4-ene (PubChem CID 16758050) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is (1S,4E)-5,9,9-trimethyl-2-methylidenebicyclo[6.2.0]dec-4-ene.

Molecular Properties

Compound Name(1S,4E)-5,9,9-trimethyl-2-methylidenebicyclo[6.2.0]dec-4-ene
PubChem CID16758050
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name(1S,4E)-5,9,9-trimethyl-2-methylidenebicyclo[6.2.0]dec-4-ene
SMILESC=C1C/C=C(/C)CCC2[C@@H]1CC2(C)C
InChIInChI=1S/C14H22/c1-10-5-7-11(2)12-9-14(3,4)13(12)8-6-10/h5,12-13H,2,6-9H2,1,3-4H3/b10-5-/t12-,13?/m1/s1
InChIKeyINOSMXBKABLUIL-UUCUAZIOSA-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

(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,6S,9R)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecan-5-ol
CID 122525723
[(1S,4Z,9S)-11,11-dimethyl-8-methylidene-4-bicyclo[7.2.0]undec-4-enyl]methanol
CID 91753476
[(1R,5Z,9R)-6,10-dimethyl-2-methylidene-10-bicyclo[7.2.0]undec-5-enyl]methanol
CID 91747230
2-[(2Z,5Z)-6,10,10-trimethyl-2-bicyclo[7.2.0]undeca-2,5-dienyl]ethanol
CID 6437289
(1R,8R,9R)-4,8,11,11-tetramethylbicyclo[7.2.0]undec-4-ene
CID 91099297
1-(6,10-dimethyl-2-methylidene-10-bicyclo[7.2.0]undec-5-enyl)-4-methylpent-3-en-1-one
CID 74076151
4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-en-10-ol
CID 162863170
4,12,12-trimethyl-9-methylidenetricyclo[8.2.0.04,6]dodecan-5-one
CID 14697674
5-hydroxy-10,10-dimethyl-6-methylidenebicyclo[7.2.0]undecan-2-one
CID 3860435
1-[(1R,4S,8S)-10,10-dimethyl-7-methylidene-4-bicyclo[6.2.0]decanyl]ethanone
CID 121415673

Frequently Asked Questions

What is the IUPAC name of (1S,4E)-5,9,9-trimethyl-2-methylidenebicyclo[6.2.0]dec-4-ene?
The IUPAC name of (1S,4E)-5,9,9-trimethyl-2-methylidenebicyclo[6.2.0]dec-4-ene (CID 16758050) is (1S,4E)-5,9,9-trimethyl-2-methylidenebicyclo[6.2.0]dec-4-ene.
What is the SMILES notation for (1S,4E)-5,9,9-trimethyl-2-methylidenebicyclo[6.2.0]dec-4-ene?
The canonical SMILES for (1S,4E)-5,9,9-trimethyl-2-methylidenebicyclo[6.2.0]dec-4-ene is C=C1C/C=C(/C)CCC2[C@@H]1CC2(C)C.
What is the InChIKey of (1S,4E)-5,9,9-trimethyl-2-methylidenebicyclo[6.2.0]dec-4-ene?
The InChIKey is INOSMXBKABLUIL-UUCUAZIOSA-N. The full InChI is InChI=1S/C14H22/c1-10-5-7-11(2)12-9-14(3,4)13(12)8-6-10/h5,12-13H,2,6-9H2,1,3-4H3/b10-5-/t12-,13?/m1/s1.
What are the key properties of (1S,4E)-5,9,9-trimethyl-2-methylidenebicyclo[6.2.0]dec-4-ene?
(1S,4E)-5,9,9-trimethyl-2-methylidenebicyclo[6.2.0]dec-4-ene 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 (1S,4E)-5,9,9-trimethyl-2-methylidenebicyclo[6.2.0]dec-4-ene is sourced from PubChem (CID 16758050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).