potassium 5-[(2R)-1-methoxypropan-2-yl]cyclopenta-1,3-diene

C9H13KO — CID 135046538

IUPACpotassium 5-[(2R)-1-methoxypropan-2-yl]cyclopenta-1,3-diene
SMILESCOC[C@H](C)[c-]1cccc1.[K+]
InChIInChI=1S/C9H13O.K/c1-8(7-10-2)9-5-3-4-6-9;/h3-6,8H,7H2,1-2H3;/q-1;+1/t8-;/m0./s1
InChIKeyKQCONUWOSIAEKJ-QRPNPIFTSA-N
MW176.30 g/mol
LogP-0.84
Rot. Bonds3

About potassium 5-[(2R)-1-methoxypropan-2-yl]cyclopenta-1,3-diene

potassium 5-[(2R)-1-methoxypropan-2-yl]cyclopenta-1,3-diene (PubChem CID 135046538) has the molecular formula C9H13KO and a molecular weight of 176.30 g/mol. Its IUPAC name is potassium 5-[(2R)-1-methoxypropan-2-yl]cyclopenta-1,3-diene.

Molecular Properties

Compound Namepotassium 5-[(2R)-1-methoxypropan-2-yl]cyclopenta-1,3-diene
PubChem CID135046538
Molecular FormulaC9H13KO
Molecular Weight176.30 g/mol
Exact Mass176.06
IUPAC Namepotassium 5-[(2R)-1-methoxypropan-2-yl]cyclopenta-1,3-diene
SMILESCOC[C@H](C)[c-]1cccc1.[K+]
InChIInChI=1S/C9H13O.K/c1-8(7-10-2)9-5-3-4-6-9;/h3-6,8H,7H2,1-2H3;/q-1;+1/t8-;/m0./s1
InChIKeyKQCONUWOSIAEKJ-QRPNPIFTSA-N
XLogP-0.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 5-0.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium 5-[(2R)-1-methoxypropan-2-yl]cyclopenta-1,3-diene?
The IUPAC name of potassium 5-[(2R)-1-methoxypropan-2-yl]cyclopenta-1,3-diene (CID 135046538) is potassium 5-[(2R)-1-methoxypropan-2-yl]cyclopenta-1,3-diene.
What is the SMILES notation for potassium 5-[(2R)-1-methoxypropan-2-yl]cyclopenta-1,3-diene?
The canonical SMILES for potassium 5-[(2R)-1-methoxypropan-2-yl]cyclopenta-1,3-diene is COC[C@H](C)[c-]1cccc1.[K+].
What is the InChIKey of potassium 5-[(2R)-1-methoxypropan-2-yl]cyclopenta-1,3-diene?
The InChIKey is KQCONUWOSIAEKJ-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H13O.K/c1-8(7-10-2)9-5-3-4-6-9;/h3-6,8H,7H2,1-2H3;/q-1;+1/t8-;/m0./s1.
What are the key properties of potassium 5-[(2R)-1-methoxypropan-2-yl]cyclopenta-1,3-diene?
potassium 5-[(2R)-1-methoxypropan-2-yl]cyclopenta-1,3-diene has a molecular weight of 176.30 g/mol, XLogP of -0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 5-[(2R)-1-methoxypropan-2-yl]cyclopenta-1,3-diene is sourced from PubChem (CID 135046538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).