CID 173256646

C10H18O2Rb — CID 173256646

IUPAC—
SMILESCCC(C(=O)O)C1CCCCC1.[Rb]
InChIInChI=1S/C10H18O2.Rb/c1-2-9(10(11)12)8-6-4-3-5-7-8;/h8-9H,2-7H2,1H3,(H,11,12);
InChIKeyJMELIJGSLLHQAZ-UHFFFAOYSA-N
MW255.72 g/mol
LogP2.30
Rot. Bonds3

About CID 173256646

CID 173256646 (PubChem CID 173256646) has the molecular formula C10H18O2Rb and a molecular weight of 255.72 g/mol.

Molecular Properties

Compound NameCID 173256646
PubChem CID173256646
Molecular FormulaC10H18O2Rb
Molecular Weight255.72 g/mol
Exact Mass255.04
IUPAC Name—
SMILESCCC(C(=O)O)C1CCCCC1.[Rb]
InChIInChI=1S/C10H18O2.Rb/c1-2-9(10(11)12)8-6-4-3-5-7-8;/h8-9H,2-7H2,1H3,(H,11,12);
InChIKeyJMELIJGSLLHQAZ-UHFFFAOYSA-N
XLogP2.30
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.72
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 173256646?
The IUPAC name of CID 173256646 (CID 173256646) is not available.
What is the SMILES notation for CID 173256646?
The canonical SMILES for CID 173256646 is CCC(C(=O)O)C1CCCCC1.[Rb].
What is the InChIKey of CID 173256646?
The InChIKey is JMELIJGSLLHQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2.Rb/c1-2-9(10(11)12)8-6-4-3-5-7-8;/h8-9H,2-7H2,1H3,(H,11,12);.
What are the key properties of CID 173256646?
CID 173256646 has a molecular weight of 255.72 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173256646 is sourced from PubChem (CID 173256646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).