deuteriomethylcyclobutane

C5H10 — CID 91615373

IUPACdeuteriomethylcyclobutane
SMILES[2H]CC1CCC1
InChIInChI=1S/C5H10/c1-5-3-2-4-5/h5H,2-4H2,1H3/i1D
InChIKeyBDJAEZRIGNCQBZ-MICDWDOJSA-N
MW71.14 g/mol
LogP1.81
Rot. Bonds1

About deuteriomethylcyclobutane

deuteriomethylcyclobutane (PubChem CID 91615373) has the molecular formula C5H10 and a molecular weight of 71.14 g/mol. Its IUPAC name is deuteriomethylcyclobutane.

Molecular Properties

Compound Namedeuteriomethylcyclobutane
PubChem CID91615373
Molecular FormulaC5H10
Molecular Weight71.14 g/mol
Exact Mass71.08
IUPAC Namedeuteriomethylcyclobutane
SMILES[2H]CC1CCC1
InChIInChI=1S/C5H10/c1-5-3-2-4-5/h5H,2-4H2,1H3/i1D
InChIKeyBDJAEZRIGNCQBZ-MICDWDOJSA-N
XLogP1.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
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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Related Compounds

Cyclobutane, methyl-
CID 11725
Ethylcyclobutane
CID 252322
1,3-Dimethylcyclobutane
CID 448071
1-Fluoro-2-methylcyclobutane
CID 54503595
1-Fluoro-3-methylcyclobutane
CID 58136843
(1S)-1-fluoro-2-methylcyclobutane
CID 149484221
(2R)-1-fluoro-2-methylcyclobutane
CID 149484223
cis-(1S,2R)-1-fluoro-2-methylcyclobutane
CID 149484225
trans-(1S,2S)-1-fluoro-2-methylcyclobutane
CID 173979969
trans-(1R,2R)-1-fluoro-2-methylcyclobutane
CID 173979972
cis-(1R,2S)-1-fluoro-2-methylcyclobutane
CID 174290847
CID 90792713
CID 90792713

Frequently Asked Questions

What is the IUPAC name of deuteriomethylcyclobutane?
The IUPAC name of deuteriomethylcyclobutane (CID 91615373) is deuteriomethylcyclobutane.
What is the SMILES notation for deuteriomethylcyclobutane?
The canonical SMILES for deuteriomethylcyclobutane is [2H]CC1CCC1.
What is the InChIKey of deuteriomethylcyclobutane?
The InChIKey is BDJAEZRIGNCQBZ-MICDWDOJSA-N. The full InChI is InChI=1S/C5H10/c1-5-3-2-4-5/h5H,2-4H2,1H3/i1D.
What are the key properties of deuteriomethylcyclobutane?
deuteriomethylcyclobutane has a molecular weight of 71.14 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for deuteriomethylcyclobutane is sourced from PubChem (CID 91615373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).