4-(6-chlorohexoxymethyl)-5-methylcyclohexene

C14H25ClO — CID 62228763

IUPAC4-(6-chlorohexoxymethyl)-5-methylcyclohexene
SMILESCC1CC=CCC1COCCCCCCCl
InChIInChI=1S/C14H25ClO/c1-13-8-4-5-9-14(13)12-16-11-7-3-2-6-10-15/h4-5,13-14H,2-3,6-12H2,1H3
InChIKeyPPVUYTGTSCJSJN-UHFFFAOYSA-N
MW244.81 g/mol
LogP4.40
Rot. Bonds8

About 4-(6-chlorohexoxymethyl)-5-methylcyclohexene

4-(6-chlorohexoxymethyl)-5-methylcyclohexene (PubChem CID 62228763) has the molecular formula C14H25ClO and a molecular weight of 244.81 g/mol. Its IUPAC name is 4-(6-chlorohexoxymethyl)-5-methylcyclohexene.

Molecular Properties

Compound Name4-(6-chlorohexoxymethyl)-5-methylcyclohexene
PubChem CID62228763
Molecular FormulaC14H25ClO
Molecular Weight244.81 g/mol
Exact Mass244.16
IUPAC Name4-(6-chlorohexoxymethyl)-5-methylcyclohexene
SMILESCC1CC=CCC1COCCCCCCCl
InChIInChI=1S/C14H25ClO/c1-13-8-4-5-9-14(13)12-16-11-7-3-2-6-10-15/h4-5,13-14H,2-3,6-12H2,1H3
InChIKeyPPVUYTGTSCJSJN-UHFFFAOYSA-N
XLogP4.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.81
LogP ≤ 54.40
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-(6-chlorohexoxymethyl)-5-methylcyclohexene?
The IUPAC name of 4-(6-chlorohexoxymethyl)-5-methylcyclohexene (CID 62228763) is 4-(6-chlorohexoxymethyl)-5-methylcyclohexene.
What is the SMILES notation for 4-(6-chlorohexoxymethyl)-5-methylcyclohexene?
The canonical SMILES for 4-(6-chlorohexoxymethyl)-5-methylcyclohexene is CC1CC=CCC1COCCCCCCCl.
What is the InChIKey of 4-(6-chlorohexoxymethyl)-5-methylcyclohexene?
The InChIKey is PPVUYTGTSCJSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25ClO/c1-13-8-4-5-9-14(13)12-16-11-7-3-2-6-10-15/h4-5,13-14H,2-3,6-12H2,1H3.
What are the key properties of 4-(6-chlorohexoxymethyl)-5-methylcyclohexene?
4-(6-chlorohexoxymethyl)-5-methylcyclohexene has a molecular weight of 244.81 g/mol, XLogP of 4.40, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chlorohexoxymethyl)-5-methylcyclohexene is sourced from PubChem (CID 62228763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).