4-(2-chloroethoxymethyl)-5-methylcyclohexene

C10H17ClO — CID 43135635

IUPAC4-(2-chloroethoxymethyl)-5-methylcyclohexene
SMILESCC1CC=CCC1COCCCl
InChIInChI=1S/C10H17ClO/c1-9-4-2-3-5-10(9)8-12-7-6-11/h2-3,9-10H,4-8H2,1H3
InChIKeyIUUYRDHJHJVSCR-UHFFFAOYSA-N
MW188.70 g/mol
LogP2.84
Rot. Bonds4

About 4-(2-chloroethoxymethyl)-5-methylcyclohexene

4-(2-chloroethoxymethyl)-5-methylcyclohexene (PubChem CID 43135635) has the molecular formula C10H17ClO and a molecular weight of 188.70 g/mol. Its IUPAC name is 4-(2-chloroethoxymethyl)-5-methylcyclohexene.

Molecular Properties

Compound Name4-(2-chloroethoxymethyl)-5-methylcyclohexene
PubChem CID43135635
Molecular FormulaC10H17ClO
Molecular Weight188.70 g/mol
Exact Mass188.10
IUPAC Name4-(2-chloroethoxymethyl)-5-methylcyclohexene
SMILESCC1CC=CCC1COCCCl
InChIInChI=1S/C10H17ClO/c1-9-4-2-3-5-10(9)8-12-7-6-11/h2-3,9-10H,4-8H2,1H3
InChIKeyIUUYRDHJHJVSCR-UHFFFAOYSA-N
XLogP2.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.70
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 4-(2-chloroethoxymethyl)-5-methylcyclohexene?
The IUPAC name of 4-(2-chloroethoxymethyl)-5-methylcyclohexene (CID 43135635) is 4-(2-chloroethoxymethyl)-5-methylcyclohexene.
What is the SMILES notation for 4-(2-chloroethoxymethyl)-5-methylcyclohexene?
The canonical SMILES for 4-(2-chloroethoxymethyl)-5-methylcyclohexene is CC1CC=CCC1COCCCl.
What is the InChIKey of 4-(2-chloroethoxymethyl)-5-methylcyclohexene?
The InChIKey is IUUYRDHJHJVSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClO/c1-9-4-2-3-5-10(9)8-12-7-6-11/h2-3,9-10H,4-8H2,1H3.
What are the key properties of 4-(2-chloroethoxymethyl)-5-methylcyclohexene?
4-(2-chloroethoxymethyl)-5-methylcyclohexene has a molecular weight of 188.70 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethoxymethyl)-5-methylcyclohexene is sourced from PubChem (CID 43135635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).