1-deuterio-1-methylcyclobutane

C5H10 — CID 140807274

IUPAC1-deuterio-1-methylcyclobutane
SMILES[2H]C1(C)CCC1
InChIInChI=1S/C5H10/c1-5-3-2-4-5/h5H,2-4H2,1H3/i5D
InChIKeyBDJAEZRIGNCQBZ-UICOGKGYSA-N
MW71.14 g/mol
LogP1.81
Rot. Bonds

About 1-deuterio-1-methylcyclobutane

1-deuterio-1-methylcyclobutane (PubChem CID 140807274) has the molecular formula C5H10 and a molecular weight of 71.14 g/mol. Its IUPAC name is 1-deuterio-1-methylcyclobutane.

Molecular Properties

Compound Name1-deuterio-1-methylcyclobutane
PubChem CID140807274
Molecular FormulaC5H10
Molecular Weight71.14 g/mol
Exact Mass71.08
IUPAC Name1-deuterio-1-methylcyclobutane
SMILES[2H]C1(C)CCC1
InChIInChI=1S/C5H10/c1-5-3-2-4-5/h5H,2-4H2,1H3/i5D
InChIKeyBDJAEZRIGNCQBZ-UICOGKGYSA-N
XLogP1.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50071.14
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-deuterio-1-methylcyclobutane?
The IUPAC name of 1-deuterio-1-methylcyclobutane (CID 140807274) is 1-deuterio-1-methylcyclobutane.
What is the SMILES notation for 1-deuterio-1-methylcyclobutane?
The canonical SMILES for 1-deuterio-1-methylcyclobutane is [2H]C1(C)CCC1.
What is the InChIKey of 1-deuterio-1-methylcyclobutane?
The InChIKey is BDJAEZRIGNCQBZ-UICOGKGYSA-N. The full InChI is InChI=1S/C5H10/c1-5-3-2-4-5/h5H,2-4H2,1H3/i5D.
What are the key properties of 1-deuterio-1-methylcyclobutane?
1-deuterio-1-methylcyclobutane has a molecular weight of 71.14 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-deuterio-1-methylcyclobutane is sourced from PubChem (CID 140807274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).