6-(2-ethoxyethoxy)hept-1-en-3-ylcyclohexane

C17H32O2 — CID 88978928

IUPAC6-(2-ethoxyethoxy)hept-1-en-3-ylcyclohexane
SMILESC=CC(CCC(C)OCCOCC)C1CCCCC1
InChIInChI=1S/C17H32O2/c1-4-16(17-9-7-6-8-10-17)12-11-15(3)19-14-13-18-5-2/h4,15-17H,1,5-14H2,2-3H3
InChIKeyPRBHBIMPMLBJTE-UHFFFAOYSA-N
MW268.44 g/mol
LogP4.59
Rot. Bonds10

About 6-(2-ethoxyethoxy)hept-1-en-3-ylcyclohexane

6-(2-ethoxyethoxy)hept-1-en-3-ylcyclohexane (PubChem CID 88978928) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is 6-(2-ethoxyethoxy)hept-1-en-3-ylcyclohexane.

Molecular Properties

Compound Name6-(2-ethoxyethoxy)hept-1-en-3-ylcyclohexane
PubChem CID88978928
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name6-(2-ethoxyethoxy)hept-1-en-3-ylcyclohexane
SMILESC=CC(CCC(C)OCCOCC)C1CCCCC1
InChIInChI=1S/C17H32O2/c1-4-16(17-9-7-6-8-10-17)12-11-15(3)19-14-13-18-5-2/h4,15-17H,1,5-14H2,2-3H3
InChIKeyPRBHBIMPMLBJTE-UHFFFAOYSA-N
XLogP4.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-(2-ethoxyethoxy)hept-1-en-3-ylcyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethoxyethoxy)hept-1-en-3-ylcyclohexane?
The IUPAC name of 6-(2-ethoxyethoxy)hept-1-en-3-ylcyclohexane (CID 88978928) is 6-(2-ethoxyethoxy)hept-1-en-3-ylcyclohexane.
What is the SMILES notation for 6-(2-ethoxyethoxy)hept-1-en-3-ylcyclohexane?
The canonical SMILES for 6-(2-ethoxyethoxy)hept-1-en-3-ylcyclohexane is C=CC(CCC(C)OCCOCC)C1CCCCC1.
What is the InChIKey of 6-(2-ethoxyethoxy)hept-1-en-3-ylcyclohexane?
The InChIKey is PRBHBIMPMLBJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2/c1-4-16(17-9-7-6-8-10-17)12-11-15(3)19-14-13-18-5-2/h4,15-17H,1,5-14H2,2-3H3.
What are the key properties of 6-(2-ethoxyethoxy)hept-1-en-3-ylcyclohexane?
6-(2-ethoxyethoxy)hept-1-en-3-ylcyclohexane has a molecular weight of 268.44 g/mol, XLogP of 4.59, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxyethoxy)hept-1-en-3-ylcyclohexane is sourced from PubChem (CID 88978928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).