1-cyclohexylethanone;ethane;molecular hydrogen;2H-tetrazole

C11H24N4O — CID 144882448

IUPAC1-cyclohexylethanone;ethane;molecular hydrogen;2H-tetrazole
SMILESCC.CC(=O)C1CCCCC1.[H][H].c1nn[nH]n1
InChIInChI=1S/C8H14O.C2H6.CH2N4.H2/c1-7(9)8-5-3-2-4-6-8;1-2;1-2-4-5-3-1;/h8H,2-6H2,1H3;1-2H3;1H,(H,2,3,4,5);1H
InChIKeyWLULDIWJGZXQEP-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.63
Rot. Bonds1

About 1-cyclohexylethanone;ethane;molecular hydrogen;2H-tetrazole

1-cyclohexylethanone;ethane;molecular hydrogen;2H-tetrazole (PubChem CID 144882448) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-cyclohexylethanone;ethane;molecular hydrogen;2H-tetrazole.

Molecular Properties

Compound Name1-cyclohexylethanone;ethane;molecular hydrogen;2H-tetrazole
PubChem CID144882448
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC Name1-cyclohexylethanone;ethane;molecular hydrogen;2H-tetrazole
SMILESCC.CC(=O)C1CCCCC1.[H][H].c1nn[nH]n1
InChIInChI=1S/C8H14O.C2H6.CH2N4.H2/c1-7(9)8-5-3-2-4-6-8;1-2;1-2-4-5-3-1;/h8H,2-6H2,1H3;1-2H3;1H,(H,2,3,4,5);1H
InChIKeyWLULDIWJGZXQEP-UHFFFAOYSA-N
XLogP2.63
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylethanone;ethane;molecular hydrogen;2H-tetrazole?
The IUPAC name of 1-cyclohexylethanone;ethane;molecular hydrogen;2H-tetrazole (CID 144882448) is 1-cyclohexylethanone;ethane;molecular hydrogen;2H-tetrazole.
What is the SMILES notation for 1-cyclohexylethanone;ethane;molecular hydrogen;2H-tetrazole?
The canonical SMILES for 1-cyclohexylethanone;ethane;molecular hydrogen;2H-tetrazole is CC.CC(=O)C1CCCCC1.[H][H].c1nn[nH]n1.
What is the InChIKey of 1-cyclohexylethanone;ethane;molecular hydrogen;2H-tetrazole?
The InChIKey is WLULDIWJGZXQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O.C2H6.CH2N4.H2/c1-7(9)8-5-3-2-4-6-8;1-2;1-2-4-5-3-1;/h8H,2-6H2,1H3;1-2H3;1H,(H,2,3,4,5);1H.
What are the key properties of 1-cyclohexylethanone;ethane;molecular hydrogen;2H-tetrazole?
1-cyclohexylethanone;ethane;molecular hydrogen;2H-tetrazole has a molecular weight of 228.34 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylethanone;ethane;molecular hydrogen;2H-tetrazole is sourced from PubChem (CID 144882448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).