1-methylbicyclo[1.1.1]pentane

C6H10 — CID 13245716

IUPAC1-methylbicyclo[1.1.1]pentane
SMILESCC12CC(C1)C2
InChIInChI=1S/C6H10/c1-6-2-5(3-6)4-6/h5H,2-4H2,1H3
InChIKeyMEBMXMFQKITUEI-UHFFFAOYSA-N
MW82.15 g/mol
LogP1.81
Rot. Bonds

About 1-methylbicyclo[1.1.1]pentane

1-methylbicyclo[1.1.1]pentane (PubChem CID 13245716) has the molecular formula C6H10 and a molecular weight of 82.15 g/mol. Its IUPAC name is 1-methylbicyclo[1.1.1]pentane.

Molecular Properties

Compound Name1-methylbicyclo[1.1.1]pentane
PubChem CID13245716
Molecular FormulaC6H10
Molecular Weight82.15 g/mol
Exact Mass82.08
IUPAC Name1-methylbicyclo[1.1.1]pentane
SMILESCC12CC(C1)C2
InChIInChI=1S/C6H10/c1-6-2-5(3-6)4-6/h5H,2-4H2,1H3
InChIKeyMEBMXMFQKITUEI-UHFFFAOYSA-N
XLogP1.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.15
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methylbicyclo[1.1.1]pentane?
The IUPAC name of 1-methylbicyclo[1.1.1]pentane (CID 13245716) is 1-methylbicyclo[1.1.1]pentane.
What is the SMILES notation for 1-methylbicyclo[1.1.1]pentane?
The canonical SMILES for 1-methylbicyclo[1.1.1]pentane is CC12CC(C1)C2.
What is the InChIKey of 1-methylbicyclo[1.1.1]pentane?
The InChIKey is MEBMXMFQKITUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10/c1-6-2-5(3-6)4-6/h5H,2-4H2,1H3.
What are the key properties of 1-methylbicyclo[1.1.1]pentane?
1-methylbicyclo[1.1.1]pentane has a molecular weight of 82.15 g/mol, XLogP of 1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylbicyclo[1.1.1]pentane is sourced from PubChem (CID 13245716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).