(1S,5S)-2,6,6-trimethyl-4-methylidenebicyclo[3.1.1]hept-2-ene

C11H16 — CID 172625670

IUPAC(1S,5S)-2,6,6-trimethyl-4-methylidenebicyclo[3.1.1]hept-2-ene
SMILESC=C1C=C(C)[C@@H]2C[C@H]1C2(C)C
InChIInChI=1S/C11H16/c1-7-5-8(2)10-6-9(7)11(10,3)4/h5,9-10H,1,6H2,2-4H3/t9-,10+/m1/s1
InChIKeyUXNHIRGJVVWGLY-ZJUUUORDSA-N
MW148.25 g/mol
LogP3.16
Rot. Bonds

About (1S,5S)-2,6,6-trimethyl-4-methylidenebicyclo[3.1.1]hept-2-ene

(1S,5S)-2,6,6-trimethyl-4-methylidenebicyclo[3.1.1]hept-2-ene (PubChem CID 172625670) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is (1S,5S)-2,6,6-trimethyl-4-methylidenebicyclo[3.1.1]hept-2-ene.

Molecular Properties

Compound Name(1S,5S)-2,6,6-trimethyl-4-methylidenebicyclo[3.1.1]hept-2-ene
PubChem CID172625670
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name(1S,5S)-2,6,6-trimethyl-4-methylidenebicyclo[3.1.1]hept-2-ene
SMILESC=C1C=C(C)[C@@H]2C[C@H]1C2(C)C
InChIInChI=1S/C11H16/c1-7-5-8(2)10-6-9(7)11(10,3)4/h5,9-10H,1,6H2,2-4H3/t9-,10+/m1/s1
InChIKeyUXNHIRGJVVWGLY-ZJUUUORDSA-N
XLogP3.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(5S)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one
CID 88978622
(1S,5R)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one
CID 6973629
(1R,5R)-2,6,6-trimethyl-4-propan-2-ylidenebicyclo[3.1.1]hept-2-ene
CID 140787972
2,7,7-trimethyl-4-methylidene-6-azabicyclo[3.1.1]hept-2-ene
CID 129157010
bis(4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol);bis(4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one)
CID 70607501
4,8,8-trimethylbicyclo[3.2.1]oct-3-en-2-one
CID 130036358
(1R,6R)-7,7-dimethyl-2-methylidenebicyclo[4.1.1]oct-3-ene
CID 98164415
(1R,5S)-4-[(E)-2-[(1S,5R)-6,6-dimethyl-4-oxo-2-bicyclo[3.1.1]hept-2-enyl]ethenyl]-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-one
CID 10590050
(1S,5R)-6,6-dimethyl-4-methylidenebicyclo[3.1.1]heptan-2-one
CID 22808178
(1S,2E,5R)-2-[(1S,5R)-6,6-dimethyl-4-methylidene-3-oxo-2-bicyclo[3.1.1]heptanylidene]-6,6-dimethyl-4-methylidenebicyclo[3.1.1]heptan-3-one
CID 100935387
2-methylidenebicyclo[3.1.1]heptane;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene
CID 170851609
(5S)-6,6-dimethyl-3-methylidenebicyclo[3.1.1]heptane
CID 173165956

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-2,6,6-trimethyl-4-methylidenebicyclo[3.1.1]hept-2-ene?
The IUPAC name of (1S,5S)-2,6,6-trimethyl-4-methylidenebicyclo[3.1.1]hept-2-ene (CID 172625670) is (1S,5S)-2,6,6-trimethyl-4-methylidenebicyclo[3.1.1]hept-2-ene.
What is the SMILES notation for (1S,5S)-2,6,6-trimethyl-4-methylidenebicyclo[3.1.1]hept-2-ene?
The canonical SMILES for (1S,5S)-2,6,6-trimethyl-4-methylidenebicyclo[3.1.1]hept-2-ene is C=C1C=C(C)[C@@H]2C[C@H]1C2(C)C.
What is the InChIKey of (1S,5S)-2,6,6-trimethyl-4-methylidenebicyclo[3.1.1]hept-2-ene?
The InChIKey is UXNHIRGJVVWGLY-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H16/c1-7-5-8(2)10-6-9(7)11(10,3)4/h5,9-10H,1,6H2,2-4H3/t9-,10+/m1/s1.
What are the key properties of (1S,5S)-2,6,6-trimethyl-4-methylidenebicyclo[3.1.1]hept-2-ene?
(1S,5S)-2,6,6-trimethyl-4-methylidenebicyclo[3.1.1]hept-2-ene has a molecular weight of 148.25 g/mol, XLogP of 3.16, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-2,6,6-trimethyl-4-methylidenebicyclo[3.1.1]hept-2-ene is sourced from PubChem (CID 172625670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).