1-chloro-6-(ethoxymethoxy)cyclohexene

C9H15ClO2 — CID 102244251

IUPAC1-chloro-6-(ethoxymethoxy)cyclohexene
SMILESCCOCOC1CCCC=C1Cl
InChIInChI=1S/C9H15ClO2/c1-2-11-7-12-9-6-4-3-5-8(9)10/h5,9H,2-4,6-7H2,1H3
InChIKeySPMDCVXGTCEAFR-UHFFFAOYSA-N
MW190.67 g/mol
LogP2.67
Rot. Bonds4

About 1-chloro-6-(ethoxymethoxy)cyclohexene

1-chloro-6-(ethoxymethoxy)cyclohexene (PubChem CID 102244251) has the molecular formula C9H15ClO2 and a molecular weight of 190.67 g/mol. Its IUPAC name is 1-chloro-6-(ethoxymethoxy)cyclohexene.

Molecular Properties

Compound Name1-chloro-6-(ethoxymethoxy)cyclohexene
PubChem CID102244251
Molecular FormulaC9H15ClO2
Molecular Weight190.67 g/mol
Exact Mass190.08
IUPAC Name1-chloro-6-(ethoxymethoxy)cyclohexene
SMILESCCOCOC1CCCC=C1Cl
InChIInChI=1S/C9H15ClO2/c1-2-11-7-12-9-6-4-3-5-8(9)10/h5,9H,2-4,6-7H2,1H3
InChIKeySPMDCVXGTCEAFR-UHFFFAOYSA-N
XLogP2.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.67
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-6-(ethoxymethoxy)cyclohexene?
The IUPAC name of 1-chloro-6-(ethoxymethoxy)cyclohexene (CID 102244251) is 1-chloro-6-(ethoxymethoxy)cyclohexene.
What is the SMILES notation for 1-chloro-6-(ethoxymethoxy)cyclohexene?
The canonical SMILES for 1-chloro-6-(ethoxymethoxy)cyclohexene is CCOCOC1CCCC=C1Cl.
What is the InChIKey of 1-chloro-6-(ethoxymethoxy)cyclohexene?
The InChIKey is SPMDCVXGTCEAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClO2/c1-2-11-7-12-9-6-4-3-5-8(9)10/h5,9H,2-4,6-7H2,1H3.
What are the key properties of 1-chloro-6-(ethoxymethoxy)cyclohexene?
1-chloro-6-(ethoxymethoxy)cyclohexene has a molecular weight of 190.67 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-6-(ethoxymethoxy)cyclohexene is sourced from PubChem (CID 102244251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).