(E)-N-(oxan-2-yloxy)cyclohexanecarboximidoyl chloride

C12H20ClNO2 — CID 11096875

IUPAC(E)-N-(oxan-2-yloxy)cyclohexanecarboximidoyl chloride
SMILESCl/C(=N/OC1CCCCO1)C1CCCCC1
InChIInChI=1S/C12H20ClNO2/c13-12(10-6-2-1-3-7-10)14-16-11-8-4-5-9-15-11/h10-11H,1-9H2/b14-12+
InChIKeyUMNFAGBFJHMKHU-WYMLVPIESA-N
MW245.75 g/mol
LogP3.66
Rot. Bonds3

About (E)-N-(oxan-2-yloxy)cyclohexanecarboximidoyl chloride

(E)-N-(oxan-2-yloxy)cyclohexanecarboximidoyl chloride (PubChem CID 11096875) has the molecular formula C12H20ClNO2 and a molecular weight of 245.75 g/mol. Its IUPAC name is (E)-N-(oxan-2-yloxy)cyclohexanecarboximidoyl chloride.

Molecular Properties

Compound Name(E)-N-(oxan-2-yloxy)cyclohexanecarboximidoyl chloride
PubChem CID11096875
Molecular FormulaC12H20ClNO2
Molecular Weight245.75 g/mol
Exact Mass245.12
IUPAC Name(E)-N-(oxan-2-yloxy)cyclohexanecarboximidoyl chloride
SMILESCl/C(=N/OC1CCCCO1)C1CCCCC1
InChIInChI=1S/C12H20ClNO2/c13-12(10-6-2-1-3-7-10)14-16-11-8-4-5-9-15-11/h10-11H,1-9H2/b14-12+
InChIKeyUMNFAGBFJHMKHU-WYMLVPIESA-N
XLogP3.66
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methane;N-(oxan-2-yloxy)methanimine
CID 159649356
2-methoxyoxepane
CID 24974084
N-(oxan-2-yloxy)oct-5-en-3-imine
CID 88720218
4-methyl-2-(oxan-2-yloxyimino)pentanoic acid
CID 54004954
cyclohexyl-[4-(oxan-2-yloxy)cyclohexyl]methanone
CID 140522461
2-cycloheptyloxyoxane
CID 11735764
oxetan-2-yl cyclohexanecarboxylate
CID 91463497
but-3-en-2-yl (E)-N-(oxan-2-yloxy)benzenecarboximidate
CID 11076663
3-(oxan-2-yloxy)cyclobutan-1-ol
CID 155584587
2-(2-chloroethoxy)oxepane
CID 24977653
methyl (2E)-3-ethoxy-2-(oxan-2-yloxyimino)butanoate
CID 11334435
2,3-dichloro-4-(oxan-2-yloxy)-4-oxobut-2-enoic acid
CID 154081225

Frequently Asked Questions

What is the IUPAC name of (E)-N-(oxan-2-yloxy)cyclohexanecarboximidoyl chloride?
The IUPAC name of (E)-N-(oxan-2-yloxy)cyclohexanecarboximidoyl chloride (CID 11096875) is (E)-N-(oxan-2-yloxy)cyclohexanecarboximidoyl chloride.
What is the SMILES notation for (E)-N-(oxan-2-yloxy)cyclohexanecarboximidoyl chloride?
The canonical SMILES for (E)-N-(oxan-2-yloxy)cyclohexanecarboximidoyl chloride is Cl/C(=N/OC1CCCCO1)C1CCCCC1.
What is the InChIKey of (E)-N-(oxan-2-yloxy)cyclohexanecarboximidoyl chloride?
The InChIKey is UMNFAGBFJHMKHU-WYMLVPIESA-N. The full InChI is InChI=1S/C12H20ClNO2/c13-12(10-6-2-1-3-7-10)14-16-11-8-4-5-9-15-11/h10-11H,1-9H2/b14-12+.
What are the key properties of (E)-N-(oxan-2-yloxy)cyclohexanecarboximidoyl chloride?
(E)-N-(oxan-2-yloxy)cyclohexanecarboximidoyl chloride has a molecular weight of 245.75 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(oxan-2-yloxy)cyclohexanecarboximidoyl chloride is sourced from PubChem (CID 11096875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).