[(E)-4-chloro-1-methoxybut-2-enyl]cyclohexane

C11H19ClO — CID 135071443

IUPAC[(E)-4-chloro-1-methoxybut-2-enyl]cyclohexane
SMILESCOC(/C=C/CCl)C1CCCCC1
InChIInChI=1S/C11H19ClO/c1-13-11(8-5-9-12)10-6-3-2-4-7-10/h5,8,10-11H,2-4,6-7,9H2,1H3/b8-5+
InChIKeyTZNFQANTRZCAOW-VMPITWQZSA-N
MW202.72 g/mol
LogP3.38
Rot. Bonds4

About [(E)-4-chloro-1-methoxybut-2-enyl]cyclohexane

[(E)-4-chloro-1-methoxybut-2-enyl]cyclohexane (PubChem CID 135071443) has the molecular formula C11H19ClO and a molecular weight of 202.72 g/mol. Its IUPAC name is [(E)-4-chloro-1-methoxybut-2-enyl]cyclohexane.

Molecular Properties

Compound Name[(E)-4-chloro-1-methoxybut-2-enyl]cyclohexane
PubChem CID135071443
Molecular FormulaC11H19ClO
Molecular Weight202.72 g/mol
Exact Mass202.11
IUPAC Name[(E)-4-chloro-1-methoxybut-2-enyl]cyclohexane
SMILESCOC(/C=C/CCl)C1CCCCC1
InChIInChI=1S/C11H19ClO/c1-13-11(8-5-9-12)10-6-3-2-4-7-10/h5,8,10-11H,2-4,6-7,9H2,1H3/b8-5+
InChIKeyTZNFQANTRZCAOW-VMPITWQZSA-N
XLogP3.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.72
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-4-chloro-1-methoxybut-2-enyl]cyclohexane?
The IUPAC name of [(E)-4-chloro-1-methoxybut-2-enyl]cyclohexane (CID 135071443) is [(E)-4-chloro-1-methoxybut-2-enyl]cyclohexane.
What is the SMILES notation for [(E)-4-chloro-1-methoxybut-2-enyl]cyclohexane?
The canonical SMILES for [(E)-4-chloro-1-methoxybut-2-enyl]cyclohexane is COC(/C=C/CCl)C1CCCCC1.
What is the InChIKey of [(E)-4-chloro-1-methoxybut-2-enyl]cyclohexane?
The InChIKey is TZNFQANTRZCAOW-VMPITWQZSA-N. The full InChI is InChI=1S/C11H19ClO/c1-13-11(8-5-9-12)10-6-3-2-4-7-10/h5,8,10-11H,2-4,6-7,9H2,1H3/b8-5+.
What are the key properties of [(E)-4-chloro-1-methoxybut-2-enyl]cyclohexane?
[(E)-4-chloro-1-methoxybut-2-enyl]cyclohexane has a molecular weight of 202.72 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-chloro-1-methoxybut-2-enyl]cyclohexane is sourced from PubChem (CID 135071443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).