sodium decan-1-olate

C10H21NaO — CID 23687487

IUPACsodium decan-1-olate
SMILESCCCCCCCCCC[O-].[Na+]
InChIInChI=1S/C10H21O.Na/c1-2-3-4-5-6-7-8-9-10-11;/h2-10H2,1H3;/q-1;+1
InChIKeyJDBNUMXMGTYDDY-UHFFFAOYSA-N
MW180.27 g/mol
LogP-0.51
Rot. Bonds8

About sodium decan-1-olate

sodium decan-1-olate (PubChem CID 23687487) has the molecular formula C10H21NaO and a molecular weight of 180.27 g/mol. Its IUPAC name is sodium decan-1-olate.

Molecular Properties

Compound Namesodium decan-1-olate
PubChem CID23687487
Molecular FormulaC10H21NaO
Molecular Weight180.27 g/mol
Exact Mass180.15
IUPAC Namesodium decan-1-olate
SMILESCCCCCCCCCC[O-].[Na+]
InChIInChI=1S/C10H21O.Na/c1-2-3-4-5-6-7-8-9-10-11;/h2-10H2,1H3;/q-1;+1
InChIKeyJDBNUMXMGTYDDY-UHFFFAOYSA-N
XLogP-0.51
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 5-0.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Decane, 1-methoxy-
CID 23716
Heptane, 1,1'-oxybis-
CID 12392
1-Methoxyoctane
CID 70247
Dodecane, 1-methoxy-
CID 77032
Cyclododecane, methoxy-
CID 76334
1-Ethoxyoctane
CID 94664
1-Ethoxydodecane
CID 96386
Decyl ethyl ether
CID 109644
Heptane, 1-ethoxy-
CID 519677
1-Methoxynonane
CID 522469
1-Methoxyundecane
CID 542197
Octyl hydroperoxide
CID 9543006

Frequently Asked Questions

What is the IUPAC name of sodium decan-1-olate?
The IUPAC name of sodium decan-1-olate (CID 23687487) is sodium decan-1-olate.
What is the SMILES notation for sodium decan-1-olate?
The canonical SMILES for sodium decan-1-olate is CCCCCCCCCC[O-].[Na+].
What is the InChIKey of sodium decan-1-olate?
The InChIKey is JDBNUMXMGTYDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O.Na/c1-2-3-4-5-6-7-8-9-10-11;/h2-10H2,1H3;/q-1;+1.
What are the key properties of sodium decan-1-olate?
sodium decan-1-olate has a molecular weight of 180.27 g/mol, XLogP of -0.51, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium decan-1-olate is sourced from PubChem (CID 23687487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).