sodium adamantan-1-olate

C10H15NaO — CID 23673189

IUPACsodium adamantan-1-olate
SMILES[Na+].[O-]C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C10H15O.Na/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;/h7-9H,1-6H2;/q-1;+1
InChIKeyNHMRUJXVSXNWJZ-UHFFFAOYSA-N
MW174.22 g/mol
LogP-1.68
Rot. Bonds

About sodium adamantan-1-olate

sodium adamantan-1-olate (PubChem CID 23673189) has the molecular formula C10H15NaO and a molecular weight of 174.22 g/mol. Its IUPAC name is sodium adamantan-1-olate.

Molecular Properties

Compound Namesodium adamantan-1-olate
PubChem CID23673189
Molecular FormulaC10H15NaO
Molecular Weight174.22 g/mol
Exact Mass174.10
IUPAC Namesodium adamantan-1-olate
SMILES[Na+].[O-]C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C10H15O.Na/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;/h7-9H,1-6H2;/q-1;+1
InChIKeyNHMRUJXVSXNWJZ-UHFFFAOYSA-N
XLogP-1.68
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 5-1.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

lithium adamantan-1-olate
CID 23682470
Adamantylsilicone
CID 18798576
1-adamantylazanium hydroxide
CID 66728776
CID 15129445
CID 15129445
adamantane;1-methyladamantane
CID 53425859
adamantan-1-ol;azane
CID 66728775
CID 87817296
CID 87817296
tetrakis(adamantane-1-carboxylate);hafnium(4+)
CID 158683841
tetrakis(adamantane-1-carboxylate);zirconium(4+)
CID 173130566
1-adamantylazanium nitrate
CID 165175397
1-adamantyl(silyloxy)silane
CID 173116370
pentacyclo[9.5.1.13,9.15,15.17,13]icosane
CID 86001136

Frequently Asked Questions

What is the IUPAC name of sodium adamantan-1-olate?
The IUPAC name of sodium adamantan-1-olate (CID 23673189) is sodium adamantan-1-olate.
What is the SMILES notation for sodium adamantan-1-olate?
The canonical SMILES for sodium adamantan-1-olate is [Na+].[O-]C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of sodium adamantan-1-olate?
The InChIKey is NHMRUJXVSXNWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15O.Na/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;/h7-9H,1-6H2;/q-1;+1.
What are the key properties of sodium adamantan-1-olate?
sodium adamantan-1-olate has a molecular weight of 174.22 g/mol, XLogP of -1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium adamantan-1-olate is sourced from PubChem (CID 23673189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).