CID 172760633

C8H18NaO — CID 172760633

IUPAC—
SMILESCC(C)CCCCCO.[Na]
InChIInChI=1S/C8H18O.Na/c1-8(2)6-4-3-5-7-9;/h8-9H,3-7H2,1-2H3;
InChIKeyLQEAGBBOQUEYJT-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.81
Rot. Bonds5

About CID 172760633

CID 172760633 (PubChem CID 172760633) has the molecular formula C8H18NaO and a molecular weight of 153.22 g/mol.

Molecular Properties

Compound NameCID 172760633
PubChem CID172760633
Molecular FormulaC8H18NaO
Molecular Weight153.22 g/mol
Exact Mass153.13
IUPAC Name—
SMILESCC(C)CCCCCO.[Na]
InChIInChI=1S/C8H18O.Na/c1-8(2)6-4-3-5-7-9;/h8-9H,3-7H2,1-2H3;
InChIKeyLQEAGBBOQUEYJT-UHFFFAOYSA-N
XLogP1.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 172760633?
The IUPAC name of CID 172760633 (CID 172760633) is not available.
What is the SMILES notation for CID 172760633?
The canonical SMILES for CID 172760633 is CC(C)CCCCCO.[Na].
What is the InChIKey of CID 172760633?
The InChIKey is LQEAGBBOQUEYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O.Na/c1-8(2)6-4-3-5-7-9;/h8-9H,3-7H2,1-2H3;.
What are the key properties of CID 172760633?
CID 172760633 has a molecular weight of 153.22 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172760633 is sourced from PubChem (CID 172760633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).