sodium;1-adamantyl acetate;hydride

C12H19NaO2 — CID 174617949

IUPACsodium;1-adamantyl acetate;hydride
SMILESCC(=O)OC12CC3CC(CC(C3)C1)C2.[H-].[Na+]
InChIInChI=1S/C12H18O2.Na.H/c1-8(13)14-12-5-9-2-10(6-12)4-11(3-9)7-12;;/h9-11H,2-7H2,1H3;;/q;+1;-1
InChIKeyNZFGPGMJNIKNCW-UHFFFAOYSA-N
MW218.27 g/mol
LogP-0.37
Rot. Bonds1

About sodium;1-adamantyl acetate;hydride

sodium;1-adamantyl acetate;hydride (PubChem CID 174617949) has the molecular formula C12H19NaO2 and a molecular weight of 218.27 g/mol. Its IUPAC name is sodium;1-adamantyl acetate;hydride.

Molecular Properties

Compound Namesodium;1-adamantyl acetate;hydride
PubChem CID174617949
Molecular FormulaC12H19NaO2
Molecular Weight218.27 g/mol
Exact Mass218.13
IUPAC Namesodium;1-adamantyl acetate;hydride
SMILESCC(=O)OC12CC3CC(CC(C3)C1)C2.[H-].[Na+]
InChIInChI=1S/C12H18O2.Na.H/c1-8(13)14-12-5-9-2-10(6-12)4-11(3-9)7-12;;/h9-11H,2-7H2,1H3;;/q;+1;-1
InChIKeyNZFGPGMJNIKNCW-UHFFFAOYSA-N
XLogP-0.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 5-0.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of sodium;1-adamantyl acetate;hydride?
The IUPAC name of sodium;1-adamantyl acetate;hydride (CID 174617949) is sodium;1-adamantyl acetate;hydride.
What is the SMILES notation for sodium;1-adamantyl acetate;hydride?
The canonical SMILES for sodium;1-adamantyl acetate;hydride is CC(=O)OC12CC3CC(CC(C3)C1)C2.[H-].[Na+].
What is the InChIKey of sodium;1-adamantyl acetate;hydride?
The InChIKey is NZFGPGMJNIKNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2.Na.H/c1-8(13)14-12-5-9-2-10(6-12)4-11(3-9)7-12;;/h9-11H,2-7H2,1H3;;/q;+1;-1.
What are the key properties of sodium;1-adamantyl acetate;hydride?
sodium;1-adamantyl acetate;hydride has a molecular weight of 218.27 g/mol, XLogP of -0.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1-adamantyl acetate;hydride is sourced from PubChem (CID 174617949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).