benzene;ethane;isocyanomethane;methanol

C11H19NO — CID 54023702

IUPACbenzene;ethane;isocyanomethane;methanol
SMILESCC.CO.[C-]#[N+]C.c1ccccc1
InChIInChI=1S/C6H6.C2H3N.C2H6.CH4O/c1-2-4-6-5-3-1;1-3-2;2*1-2/h1-6H;1H3;1-2H3;2H,1H3
InChIKeyLARIZFSHKFKWOO-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.86
Rot. Bonds

About benzene;ethane;isocyanomethane;methanol

benzene;ethane;isocyanomethane;methanol (PubChem CID 54023702) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is benzene;ethane;isocyanomethane;methanol.

Molecular Properties

Compound Namebenzene;ethane;isocyanomethane;methanol
PubChem CID54023702
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Namebenzene;ethane;isocyanomethane;methanol
SMILESCC.CO.[C-]#[N+]C.c1ccccc1
InChIInChI=1S/C6H6.C2H3N.C2H6.CH4O/c1-2-4-6-5-3-1;1-3-2;2*1-2/h1-6H;1H3;1-2H3;2H,1H3
InChIKeyLARIZFSHKFKWOO-UHFFFAOYSA-N
XLogP2.86
TPSA24.59 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzene;ethane;isocyanomethane;methanol?
The IUPAC name of benzene;ethane;isocyanomethane;methanol (CID 54023702) is benzene;ethane;isocyanomethane;methanol.
What is the SMILES notation for benzene;ethane;isocyanomethane;methanol?
The canonical SMILES for benzene;ethane;isocyanomethane;methanol is CC.CO.[C-]#[N+]C.c1ccccc1.
What is the InChIKey of benzene;ethane;isocyanomethane;methanol?
The InChIKey is LARIZFSHKFKWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C2H3N.C2H6.CH4O/c1-2-4-6-5-3-1;1-3-2;2*1-2/h1-6H;1H3;1-2H3;2H,1H3.
What are the key properties of benzene;ethane;isocyanomethane;methanol?
benzene;ethane;isocyanomethane;methanol has a molecular weight of 181.28 g/mol, XLogP of 2.86, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;isocyanomethane;methanol is sourced from PubChem (CID 54023702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).