CID 135081444

C9H17K+ — CID 135081444

IUPAC—
SMILESC=C(C)[CH]CC(C)(C)C.[K+]
InChIInChI=1S/C9H17.K/c1-8(2)6-7-9(3,4)5;/h6H,1,7H2,2-5H3;/q;+1
InChIKeyIFFWKXAIVIEUPX-UHFFFAOYSA-N
MW164.33 g/mol
LogP0.21
Rot. Bonds2

About CID 135081444

CID 135081444 (PubChem CID 135081444) has the molecular formula C9H17K+ and a molecular weight of 164.33 g/mol.

Molecular Properties

Compound NameCID 135081444
PubChem CID135081444
Molecular FormulaC9H17K+
Molecular Weight164.33 g/mol
Exact Mass164.10
IUPAC Name—
SMILESC=C(C)[CH]CC(C)(C)C.[K+]
InChIInChI=1S/C9H17.K/c1-8(2)6-7-9(3,4)5;/h6H,1,7H2,2-5H3;/q;+1
InChIKeyIFFWKXAIVIEUPX-UHFFFAOYSA-N
XLogP0.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.33
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 135081444?
The IUPAC name of CID 135081444 (CID 135081444) is not available.
What is the SMILES notation for CID 135081444?
The canonical SMILES for CID 135081444 is C=C(C)[CH]CC(C)(C)C.[K+].
What is the InChIKey of CID 135081444?
The InChIKey is IFFWKXAIVIEUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17.K/c1-8(2)6-7-9(3,4)5;/h6H,1,7H2,2-5H3;/q;+1.
What are the key properties of CID 135081444?
CID 135081444 has a molecular weight of 164.33 g/mol, XLogP of 0.21, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135081444 is sourced from PubChem (CID 135081444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).