1-(cyclobutylmethyl)-3-[(E)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]cyclobutane

C16H27IO2 — CID 23344468

IUPAC1-(cyclobutylmethyl)-3-[(E)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]cyclobutane
SMILESCCOC(C)OC(/C=C/I)C1CC(CC2CCC2)C1
InChIInChI=1S/C16H27IO2/c1-3-18-12(2)19-16(7-8-17)15-10-14(11-15)9-13-5-4-6-13/h7-8,12-16H,3-6,9-11H2,1-2H3/b8-7+
InChIKeyUNEUMPWJUXHMPH-BQYQJAHWSA-N
MW378.29 g/mol
LogP4.92
Rot. Bonds8

About 1-(cyclobutylmethyl)-3-[(E)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]cyclobutane

1-(cyclobutylmethyl)-3-[(E)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]cyclobutane (PubChem CID 23344468) has the molecular formula C16H27IO2 and a molecular weight of 378.29 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-3-[(E)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]cyclobutane.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-3-[(E)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]cyclobutane
PubChem CID23344468
Molecular FormulaC16H27IO2
Molecular Weight378.29 g/mol
Exact Mass378.11
IUPAC Name1-(cyclobutylmethyl)-3-[(E)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]cyclobutane
SMILESCCOC(C)OC(/C=C/I)C1CC(CC2CCC2)C1
InChIInChI=1S/C16H27IO2/c1-3-18-12(2)19-16(7-8-17)15-10-14(11-15)9-13-5-4-6-13/h7-8,12-16H,3-6,9-11H2,1-2H3/b8-7+
InChIKeyUNEUMPWJUXHMPH-BQYQJAHWSA-N
XLogP4.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.29
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(cyclobutylmethyl)-3-[(E)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]cyclobutane with MolForge

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

Launch Full Analysis

Related Compounds

2-[(E)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]spiro[3.3]heptane
CID 20320769
[(E)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]cyclohexane
CID 20336688
1-iodo-3-(1-ethoxyethoxy)-3-(3-ethylcyclobutyl)-1E-propene
CID 23344462
3-[3-[(E)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]-1-ethylcyclobutyl]propylcyclohexane
CID 23344487
5-[3-[(E)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]cyclobutyl]pentylcyclododecane
CID 23344506
1-cyclobutyl-3-[(E)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]cyclobutane
CID 23344515
1-butyl-1-[(E)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]cyclobutane
CID 23344522
1-[(E)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]-3-ethyl-1-methylcyclobutane
CID 23344529
3-[3-[(E)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]cyclobutyl]propylcyclohexane
CID 23344541
3-[3-[1-(1-Ethoxyethoxy)-3-iodoprop-2-enyl]cyclobutyl]propylcyclohexane
CID 53703286
1-Butyl-1-[1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]cyclobutane
CID 53847966
5-[3-[1-(1-Ethoxyethoxy)-3-iodoprop-2-enyl]cyclobutyl]pentylcyclododecane
CID 53914630

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-3-[(E)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]cyclobutane?
The IUPAC name of 1-(cyclobutylmethyl)-3-[(E)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]cyclobutane (CID 23344468) is 1-(cyclobutylmethyl)-3-[(E)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]cyclobutane.
What is the SMILES notation for 1-(cyclobutylmethyl)-3-[(E)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]cyclobutane?
The canonical SMILES for 1-(cyclobutylmethyl)-3-[(E)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]cyclobutane is CCOC(C)OC(/C=C/I)C1CC(CC2CCC2)C1.
What is the InChIKey of 1-(cyclobutylmethyl)-3-[(E)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]cyclobutane?
The InChIKey is UNEUMPWJUXHMPH-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H27IO2/c1-3-18-12(2)19-16(7-8-17)15-10-14(11-15)9-13-5-4-6-13/h7-8,12-16H,3-6,9-11H2,1-2H3/b8-7+.
What are the key properties of 1-(cyclobutylmethyl)-3-[(E)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]cyclobutane?
1-(cyclobutylmethyl)-3-[(E)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]cyclobutane has a molecular weight of 378.29 g/mol, XLogP of 4.92, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-3-[(E)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]cyclobutane is sourced from PubChem (CID 23344468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).