1,2-dideuterio-1-methylcyclopentane

C6H12 — CID 59989853

IUPAC1,2-dideuterio-1-methylcyclopentane
SMILES[2H]C1CCCC1([2H])C
InChIInChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3/i4D,6D
InChIKeyGDOPTJXRTPNYNR-QRZVFWKLSA-N
MW86.17 g/mol
LogP2.20
Rot. Bonds

About 1,2-dideuterio-1-methylcyclopentane

1,2-dideuterio-1-methylcyclopentane (PubChem CID 59989853) has the molecular formula C6H12 and a molecular weight of 86.17 g/mol. Its IUPAC name is 1,2-dideuterio-1-methylcyclopentane.

Molecular Properties

Compound Name1,2-dideuterio-1-methylcyclopentane
PubChem CID59989853
Molecular FormulaC6H12
Molecular Weight86.17 g/mol
Exact Mass86.11
IUPAC Name1,2-dideuterio-1-methylcyclopentane
SMILES[2H]C1CCCC1([2H])C
InChIInChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3/i4D,6D
InChIKeyGDOPTJXRTPNYNR-QRZVFWKLSA-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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Frequently Asked Questions

What is the IUPAC name of 1,2-dideuterio-1-methylcyclopentane?
The IUPAC name of 1,2-dideuterio-1-methylcyclopentane (CID 59989853) is 1,2-dideuterio-1-methylcyclopentane.
What is the SMILES notation for 1,2-dideuterio-1-methylcyclopentane?
The canonical SMILES for 1,2-dideuterio-1-methylcyclopentane is [2H]C1CCCC1([2H])C.
What is the InChIKey of 1,2-dideuterio-1-methylcyclopentane?
The InChIKey is GDOPTJXRTPNYNR-QRZVFWKLSA-N. The full InChI is InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3/i4D,6D.
What are the key properties of 1,2-dideuterio-1-methylcyclopentane?
1,2-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 1,2-dideuterio-1-methylcyclopentane is sourced from PubChem (CID 59989853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).