3-[3-(cyclohexylidenemethoxy)propyl]-3-ethylthietane

C15H26OS — CID 176604506

IUPAC3-[3-(cyclohexylidenemethoxy)propyl]-3-ethylthietane
SMILESCCC1(CCCOC=C2CCCCC2)CSC1
InChIInChI=1S/C15H26OS/c1-2-15(12-17-13-15)9-6-10-16-11-14-7-4-3-5-8-14/h11H,2-10,12-13H2,1H3
InChIKeyNBALQTXWICGZFP-UHFFFAOYSA-N
MW254.44 g/mol
LogP4.77
Rot. Bonds6

About 3-[3-(cyclohexylidenemethoxy)propyl]-3-ethylthietane

3-[3-(cyclohexylidenemethoxy)propyl]-3-ethylthietane (PubChem CID 176604506) has the molecular formula C15H26OS and a molecular weight of 254.44 g/mol. Its IUPAC name is 3-[3-(cyclohexylidenemethoxy)propyl]-3-ethylthietane.

Molecular Properties

Compound Name3-[3-(cyclohexylidenemethoxy)propyl]-3-ethylthietane
PubChem CID176604506
Molecular FormulaC15H26OS
Molecular Weight254.44 g/mol
Exact Mass254.17
IUPAC Name3-[3-(cyclohexylidenemethoxy)propyl]-3-ethylthietane
SMILESCCC1(CCCOC=C2CCCCC2)CSC1
InChIInChI=1S/C15H26OS/c1-2-15(12-17-13-15)9-6-10-16-11-14-7-4-3-5-8-14/h11H,2-10,12-13H2,1H3
InChIKeyNBALQTXWICGZFP-UHFFFAOYSA-N
XLogP4.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[3-(cyclohexylidenemethoxy)propyl]-3-ethylthietane 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-[2-(Cyclohexylidenemethoxy)ethyl]-2-methylthiolane
CID 176602956
4-[2-(Cyclohexylidenemethoxy)ethyl]-4-methylthiane
CID 176603064
4-[3-(Cyclopentylidenemethoxy)propyl]-4-ethylthiane
CID 176603158
3-[3-(Cyclohexylidenemethoxy)propyl]-3-ethylthiolane
CID 176603177
3-[3-(Cyclohexylidenemethoxy)propyl]thietane
CID 176603362
3-(Cyclohexylidenemethoxymethyl)-3-ethylthietane 1-oxide
CID 176603571
3-[3-(Cyclopentylidenemethoxy)propyl]-3-ethylthietane 1-oxide
CID 176603580
3-[3-(Cyclohexylidenemethoxy)propyl]-3-ethylthietane 1-oxide
CID 176603616
3-[3-(Cyclopentylidenemethoxy)propyl]-3-ethylthietane
CID 176603855
3-(Cyclohexylidenemethoxymethyl)-3-methylthiane
CID 176603952
3-[2-(Cyclohexylidenemethoxy)ethyl]-3-methylthietane
CID 176604102
3-[3-(Cyclohexylidenemethoxy)propyl]-3-ethylthietane 1,1-dioxide
CID 176604138

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclohexylidenemethoxy)propyl]-3-ethylthietane?
The IUPAC name of 3-[3-(cyclohexylidenemethoxy)propyl]-3-ethylthietane (CID 176604506) is 3-[3-(cyclohexylidenemethoxy)propyl]-3-ethylthietane.
What is the SMILES notation for 3-[3-(cyclohexylidenemethoxy)propyl]-3-ethylthietane?
The canonical SMILES for 3-[3-(cyclohexylidenemethoxy)propyl]-3-ethylthietane is CCC1(CCCOC=C2CCCCC2)CSC1.
What is the InChIKey of 3-[3-(cyclohexylidenemethoxy)propyl]-3-ethylthietane?
The InChIKey is NBALQTXWICGZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26OS/c1-2-15(12-17-13-15)9-6-10-16-11-14-7-4-3-5-8-14/h11H,2-10,12-13H2,1H3.
What are the key properties of 3-[3-(cyclohexylidenemethoxy)propyl]-3-ethylthietane?
3-[3-(cyclohexylidenemethoxy)propyl]-3-ethylthietane has a molecular weight of 254.44 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclohexylidenemethoxy)propyl]-3-ethylthietane is sourced from PubChem (CID 176604506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).