acetonitrile;nonadecahydrate

C2H41NO19 — CID 168867597

IUPACacetonitrile;nonadecahydrate
SMILESCC#N.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
InChIInChI=1S/C2H3N.19H2O/c1-2-3;;;;;;;;;;;;;;;;;;;/h1H3;19*1H2
InChIKeyFEMCBTWYSZMCLC-UHFFFAOYSA-N
MW383.34 g/mol
LogP-15.14
Rot. Bonds

About acetonitrile;nonadecahydrate

acetonitrile;nonadecahydrate (PubChem CID 168867597) has the molecular formula C2H41NO19 and a molecular weight of 383.34 g/mol. Its IUPAC name is acetonitrile;nonadecahydrate.

Molecular Properties

Compound Nameacetonitrile;nonadecahydrate
PubChem CID168867597
Molecular FormulaC2H41NO19
Molecular Weight383.34 g/mol
Exact Mass383.23
IUPAC Nameacetonitrile;nonadecahydrate
SMILESCC#N.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
InChIInChI=1S/C2H3N.19H2O/c1-2-3;;;;;;;;;;;;;;;;;;;/h1H3;19*1H2
InChIKeyFEMCBTWYSZMCLC-UHFFFAOYSA-N
XLogP-15.14
TPSA622.29 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.34
LogP ≤ 5-15.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of acetonitrile;nonadecahydrate?
The IUPAC name of acetonitrile;nonadecahydrate (CID 168867597) is acetonitrile;nonadecahydrate.
What is the SMILES notation for acetonitrile;nonadecahydrate?
The canonical SMILES for acetonitrile;nonadecahydrate is CC#N.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.
What is the InChIKey of acetonitrile;nonadecahydrate?
The InChIKey is FEMCBTWYSZMCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3N.19H2O/c1-2-3;;;;;;;;;;;;;;;;;;;/h1H3;19*1H2.
What are the key properties of acetonitrile;nonadecahydrate?
acetonitrile;nonadecahydrate has a molecular weight of 383.34 g/mol, XLogP of -15.14, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;nonadecahydrate is sourced from PubChem (CID 168867597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).