trans-(1S,3R)-1,2,2-trimethylcyclopentane-1,3-dicarbonyl chloride

C10H14Cl2O2 — CID 165352423

IUPACtrans-(1S,3R)-1,2,2-trimethylcyclopentane-1,3-dicarbonyl chloride
SMILESCC1(C)[C@H](C(=O)Cl)CC[C@]1(C)C(=O)Cl
InChIInChI=1S/C10H14Cl2O2/c1-9(2)6(7(11)13)4-5-10(9,3)8(12)14/h6H,4-5H2,1-3H3/t6-,10+/m0/s1
InChIKeyJEIWMMMVZOQQHT-QUBYGPBYSA-N
MW237.13 g/mol
LogP2.96
Rot. Bonds2

About trans-(1S,3R)-1,2,2-trimethylcyclopentane-1,3-dicarbonyl chloride

trans-(1S,3R)-1,2,2-trimethylcyclopentane-1,3-dicarbonyl chloride (PubChem CID 165352423) has the molecular formula C10H14Cl2O2 and a molecular weight of 237.13 g/mol. Its IUPAC name is trans-(1S,3R)-1,2,2-trimethylcyclopentane-1,3-dicarbonyl chloride.

Molecular Properties

Compound Nametrans-(1S,3R)-1,2,2-trimethylcyclopentane-1,3-dicarbonyl chloride
PubChem CID165352423
Molecular FormulaC10H14Cl2O2
Molecular Weight237.13 g/mol
Exact Mass236.04
IUPAC Nametrans-(1S,3R)-1,2,2-trimethylcyclopentane-1,3-dicarbonyl chloride
SMILESCC1(C)[C@H](C(=O)Cl)CC[C@]1(C)C(=O)Cl
InChIInChI=1S/C10H14Cl2O2/c1-9(2)6(7(11)13)4-5-10(9,3)8(12)14/h6H,4-5H2,1-3H3/t6-,10+/m0/s1
InChIKeyJEIWMMMVZOQQHT-QUBYGPBYSA-N
XLogP2.96
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.13
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,3R)-1,2,2-trimethylcyclopentane-1,3-dicarbonyl chloride?
The IUPAC name of trans-(1S,3R)-1,2,2-trimethylcyclopentane-1,3-dicarbonyl chloride (CID 165352423) is trans-(1S,3R)-1,2,2-trimethylcyclopentane-1,3-dicarbonyl chloride.
What is the SMILES notation for trans-(1S,3R)-1,2,2-trimethylcyclopentane-1,3-dicarbonyl chloride?
The canonical SMILES for trans-(1S,3R)-1,2,2-trimethylcyclopentane-1,3-dicarbonyl chloride is CC1(C)[C@H](C(=O)Cl)CC[C@]1(C)C(=O)Cl.
What is the InChIKey of trans-(1S,3R)-1,2,2-trimethylcyclopentane-1,3-dicarbonyl chloride?
The InChIKey is JEIWMMMVZOQQHT-QUBYGPBYSA-N. The full InChI is InChI=1S/C10H14Cl2O2/c1-9(2)6(7(11)13)4-5-10(9,3)8(12)14/h6H,4-5H2,1-3H3/t6-,10+/m0/s1.
What are the key properties of trans-(1S,3R)-1,2,2-trimethylcyclopentane-1,3-dicarbonyl chloride?
trans-(1S,3R)-1,2,2-trimethylcyclopentane-1,3-dicarbonyl chloride has a molecular weight of 237.13 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3R)-1,2,2-trimethylcyclopentane-1,3-dicarbonyl chloride is sourced from PubChem (CID 165352423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).