1,5,5-trimethyl-3-propan-2-ylidenebicyclo[2.1.1]hexane

C12H20 — CID 173074581

IUPAC1,5,5-trimethyl-3-propan-2-ylidenebicyclo[2.1.1]hexane
SMILESCC(C)=C1CC2(C)CC1C2(C)C
InChIInChI=1S/C12H20/c1-8(2)9-6-12(5)7-10(9)11(12,3)4/h10H,6-7H2,1-5H3
InChIKeyZVPRPBLYESJEQY-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.78
Rot. Bonds

About 1,5,5-trimethyl-3-propan-2-ylidenebicyclo[2.1.1]hexane

1,5,5-trimethyl-3-propan-2-ylidenebicyclo[2.1.1]hexane (PubChem CID 173074581) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 1,5,5-trimethyl-3-propan-2-ylidenebicyclo[2.1.1]hexane.

Molecular Properties

Compound Name1,5,5-trimethyl-3-propan-2-ylidenebicyclo[2.1.1]hexane
PubChem CID173074581
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name1,5,5-trimethyl-3-propan-2-ylidenebicyclo[2.1.1]hexane
SMILESCC(C)=C1CC2(C)CC1C2(C)C
InChIInChI=1S/C12H20/c1-8(2)9-6-12(5)7-10(9)11(12,3)4/h10H,6-7H2,1-5H3
InChIKeyZVPRPBLYESJEQY-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,5,5-trimethyl-3-propan-2-ylidenebicyclo[2.1.1]hexane?
The IUPAC name of 1,5,5-trimethyl-3-propan-2-ylidenebicyclo[2.1.1]hexane (CID 173074581) is 1,5,5-trimethyl-3-propan-2-ylidenebicyclo[2.1.1]hexane.
What is the SMILES notation for 1,5,5-trimethyl-3-propan-2-ylidenebicyclo[2.1.1]hexane?
The canonical SMILES for 1,5,5-trimethyl-3-propan-2-ylidenebicyclo[2.1.1]hexane is CC(C)=C1CC2(C)CC1C2(C)C.
What is the InChIKey of 1,5,5-trimethyl-3-propan-2-ylidenebicyclo[2.1.1]hexane?
The InChIKey is ZVPRPBLYESJEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-8(2)9-6-12(5)7-10(9)11(12,3)4/h10H,6-7H2,1-5H3.
What are the key properties of 1,5,5-trimethyl-3-propan-2-ylidenebicyclo[2.1.1]hexane?
1,5,5-trimethyl-3-propan-2-ylidenebicyclo[2.1.1]hexane has a molecular weight of 164.29 g/mol, XLogP of 3.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,5-trimethyl-3-propan-2-ylidenebicyclo[2.1.1]hexane is sourced from PubChem (CID 173074581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).