2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane;4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane

C20H32 — CID 173099126

IUPAC2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane;4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane
SMILESC=C1C2CCC(C2)C1(C)C.C=C1CCC2(C(C)C)CC12
InChIInChI=1S/2C10H16/c1-7-8-4-5-9(6-8)10(7,2)3;1-7(2)10-5-4-8(3)9(10)6-10/h8-9H,1,4-6H2,2-3H3;7,9H,3-6H2,1-2H3
InChIKeyFEQWVCQDODDLQR-UHFFFAOYSA-N
MW272.48 g/mol
LogP6.00
Rot. Bonds1

About 2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane;4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane

2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane;4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane (PubChem CID 173099126) has the molecular formula C20H32 and a molecular weight of 272.48 g/mol. Its IUPAC name is 2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane;4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane.

Molecular Properties

Compound Name2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane;4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane
PubChem CID173099126
Molecular FormulaC20H32
Molecular Weight272.48 g/mol
Exact Mass272.25
IUPAC Name2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane;4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane
SMILESC=C1C2CCC(C2)C1(C)C.C=C1CCC2(C(C)C)CC12
InChIInChI=1S/2C10H16/c1-7-8-4-5-9(6-8)10(7,2)3;1-7(2)10-5-4-8(3)9(10)6-10/h8-9H,1,4-6H2,2-3H3;7,9H,3-6H2,1-2H3
InChIKeyFEQWVCQDODDLQR-UHFFFAOYSA-N
XLogP6.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.48
LogP ≤ 56.00
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 2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane;4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane?
The IUPAC name of 2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane;4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane (CID 173099126) is 2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane;4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane.
What is the SMILES notation for 2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane;4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane?
The canonical SMILES for 2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane;4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane is C=C1C2CCC(C2)C1(C)C.C=C1CCC2(C(C)C)CC12.
What is the InChIKey of 2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane;4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane?
The InChIKey is FEQWVCQDODDLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H16/c1-7-8-4-5-9(6-8)10(7,2)3;1-7(2)10-5-4-8(3)9(10)6-10/h8-9H,1,4-6H2,2-3H3;7,9H,3-6H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane;4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane?
2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane;4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane has a molecular weight of 272.48 g/mol, XLogP of 6.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane;4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane is sourced from PubChem (CID 173099126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).