1,3-dideuterio-1-methylcyclopentane

C6H12 — CID 58224464

IUPAC1,3-dideuterio-1-methylcyclopentane
SMILES[2H]C1CCC([2H])(C)C1
InChIInChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3/i2D,6D
InChIKeyGDOPTJXRTPNYNR-ZJTJSSCZSA-N
MW86.17 g/mol
LogP2.20
Rot. Bonds

About 1,3-dideuterio-1-methylcyclopentane

1,3-dideuterio-1-methylcyclopentane (PubChem CID 58224464) has the molecular formula C6H12 and a molecular weight of 86.17 g/mol. Its IUPAC name is 1,3-dideuterio-1-methylcyclopentane.

Molecular Properties

Compound Name1,3-dideuterio-1-methylcyclopentane
PubChem CID58224464
Molecular FormulaC6H12
Molecular Weight86.17 g/mol
Exact Mass86.11
IUPAC Name1,3-dideuterio-1-methylcyclopentane
SMILES[2H]C1CCC([2H])(C)C1
InChIInChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3/i2D,6D
InChIKeyGDOPTJXRTPNYNR-ZJTJSSCZSA-N
XLogP2.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.17
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,2,3-tetradeuterio-1-methylcyclohexane
CID 173226872
11-deuterio-11-methyldispiro[4.2.58.25]pentadecane
CID 157178065
1-deuterio-1-methylcyclohexane;1-deuterio-1-methylcyclopentane;2,2-dideuterio-3,3-dimethylbutane;1,1-dideuterioethylcyclohexane;1,1-dideuterioethylcyclopentane
CID 159811304
(3R)-3-deuterio-3-methyl-1,1-bis(trideuteriomethyl)silolane
CID 140812459
(2R)-1-ethyl-1,2-dimethylsilolane
CID 140812457
cis-(1R,3S)-1-bromo-3-methylcyclohexane
CID 12768448
cyclobutane;cyclopropane;methylcyclobutane
CID 157419563
methylcyclopentane
CID 7296
cyclooctane;methylcyclobutane
CID 159456217
1,5,9,13,17,21-hexamethylcyclotetracosane
CID 164675975
cyclobutane;ethane;methylcyclopropane
CID 143875535
ethane;methylcyclopentane;propane
CID 142080084

Frequently Asked Questions

What is the IUPAC name of 1,3-dideuterio-1-methylcyclopentane?
The IUPAC name of 1,3-dideuterio-1-methylcyclopentane (CID 58224464) is 1,3-dideuterio-1-methylcyclopentane.
What is the SMILES notation for 1,3-dideuterio-1-methylcyclopentane?
The canonical SMILES for 1,3-dideuterio-1-methylcyclopentane is [2H]C1CCC([2H])(C)C1.
What is the InChIKey of 1,3-dideuterio-1-methylcyclopentane?
The InChIKey is GDOPTJXRTPNYNR-ZJTJSSCZSA-N. The full InChI is InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3/i2D,6D.
What are the key properties of 1,3-dideuterio-1-methylcyclopentane?
1,3-dideuterio-1-methylcyclopentane has a molecular weight of 86.17 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dideuterio-1-methylcyclopentane is sourced from PubChem (CID 58224464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).