2-methylidenebicyclo[3.1.1]heptane;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene

C18H28 — CID 170851609

IUPAC2-methylidenebicyclo[3.1.1]heptane;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene
SMILESC=C1CCC2CC1C2.CC1=CCC2CC1C2(C)C
InChIInChI=1S/C10H16.C8H12/c1-7-4-5-8-6-9(7)10(8,2)3;1-6-2-3-7-4-8(6)5-7/h4,8-9H,5-6H2,1-3H3;7-8H,1-5H2
InChIKeyBMOYZUCAMVNLKX-UHFFFAOYSA-N
MW244.42 g/mol
LogP5.36
Rot. Bonds

About 2-methylidenebicyclo[3.1.1]heptane;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene

2-methylidenebicyclo[3.1.1]heptane;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene (PubChem CID 170851609) has the molecular formula C18H28 and a molecular weight of 244.42 g/mol. Its IUPAC name is 2-methylidenebicyclo[3.1.1]heptane;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene.

Molecular Properties

Compound Name2-methylidenebicyclo[3.1.1]heptane;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene
PubChem CID170851609
Molecular FormulaC18H28
Molecular Weight244.42 g/mol
Exact Mass244.22
IUPAC Name2-methylidenebicyclo[3.1.1]heptane;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene
SMILESC=C1CCC2CC1C2.CC1=CCC2CC1C2(C)C
InChIInChI=1S/C10H16.C8H12/c1-7-4-5-8-6-9(7)10(8,2)3;1-6-2-3-7-4-8(6)5-7/h4,8-9H,5-6H2,1-3H3;7-8H,1-5H2
InChIKeyBMOYZUCAMVNLKX-UHFFFAOYSA-N
XLogP5.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.42
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-methylidenebicyclo[3.1.1]heptane;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene with MolForge

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Related Compounds

dichloropalladium;6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-2-ol;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene
CID 126843352
styrene;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene
CID 18955825
(1S,3E,7E,11R)-4,8,15,15-tetramethyl-12-methylidenebicyclo[9.3.1]pentadeca-3,7-diene
CID 15939522
(1R,6R)-7,7-dimethyl-2-methylidenebicyclo[4.1.1]oct-3-ene
CID 98164415
6,6-dimethylbicyclo[3.1.1]hept-2-en-2-ol
CID 58426752
(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-ol
CID 101193017
2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-1,3-dithiane
CID 85349142
(1R,5R)-2-(dideuterio(113C)methylidene)-6,6-dimethylbicyclo[3.1.1]heptane
CID 169445693
[(1R,5R,6R)-2,6-dimethyl-6-bicyclo[3.1.1]hept-2-enyl]methanol
CID 12600906
2-methylidenebicyclo[3.3.1]nonane
CID 12935668
(1R,5S)-6,6-dimethyl-2-propan-2-ylbicyclo[3.1.1]hept-2-ene;ethane
CID 142872108
(1R,5S)-2-(chloromethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene
CID 67996111

Frequently Asked Questions

What is the IUPAC name of 2-methylidenebicyclo[3.1.1]heptane;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene?
The IUPAC name of 2-methylidenebicyclo[3.1.1]heptane;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene (CID 170851609) is 2-methylidenebicyclo[3.1.1]heptane;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene.
What is the SMILES notation for 2-methylidenebicyclo[3.1.1]heptane;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene?
The canonical SMILES for 2-methylidenebicyclo[3.1.1]heptane;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene is C=C1CCC2CC1C2.CC1=CCC2CC1C2(C)C.
What is the InChIKey of 2-methylidenebicyclo[3.1.1]heptane;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene?
The InChIKey is BMOYZUCAMVNLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16.C8H12/c1-7-4-5-8-6-9(7)10(8,2)3;1-6-2-3-7-4-8(6)5-7/h4,8-9H,5-6H2,1-3H3;7-8H,1-5H2.
What are the key properties of 2-methylidenebicyclo[3.1.1]heptane;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene?
2-methylidenebicyclo[3.1.1]heptane;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene has a molecular weight of 244.42 g/mol, XLogP of 5.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidenebicyclo[3.1.1]heptane;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene is sourced from PubChem (CID 170851609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).