3-[3-(cyclopentylidenemethoxy)propyl]thiepane

C15H26OS — CID 176604173

IUPAC3-[3-(cyclopentylidenemethoxy)propyl]thiepane
SMILESC(OCCCC1CCCCSC1)=C1CCCC1
InChIInChI=1S/C15H26OS/c1-2-7-14(6-1)12-16-10-5-9-15-8-3-4-11-17-13-15/h12,15H,1-11,13H2
InChIKeyKCYJSYMWRYNRIS-UHFFFAOYSA-N
MW254.44 g/mol
LogP4.77
Rot. Bonds5

About 3-[3-(cyclopentylidenemethoxy)propyl]thiepane

3-[3-(cyclopentylidenemethoxy)propyl]thiepane (PubChem CID 176604173) has the molecular formula C15H26OS and a molecular weight of 254.44 g/mol. Its IUPAC name is 3-[3-(cyclopentylidenemethoxy)propyl]thiepane.

Molecular Properties

Compound Name3-[3-(cyclopentylidenemethoxy)propyl]thiepane
PubChem CID176604173
Molecular FormulaC15H26OS
Molecular Weight254.44 g/mol
Exact Mass254.17
IUPAC Name3-[3-(cyclopentylidenemethoxy)propyl]thiepane
SMILESC(OCCCC1CCCCSC1)=C1CCCC1
InChIInChI=1S/C15H26OS/c1-2-7-14(6-1)12-16-10-5-9-15-8-3-4-11-17-13-15/h12,15H,1-11,13H2
InChIKeyKCYJSYMWRYNRIS-UHFFFAOYSA-N
XLogP4.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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-(cyclopentylidenemethoxy)propyl]thiepane 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

(7Z)-7-(methoxymethylidene)-2,3,4,5,5a,6,8,8a-octahydrocyclopenta[b]thiepine
CID 89317703
2-(Cyclopentylidenemethoxymethyl)-2-ethylthiepane 1,1-dioxide
CID 176602952
3-[3-(Cyclopentylidenemethoxy)propyl]thiepane 1,1-dioxide
CID 176603080
3-[2-(2-Methylprop-1-enoxy)ethyl]thiepane
CID 176603106
3-[1-(Cyclopentylidenemethoxy)ethyl]thiepane
CID 176603207
3-[2-(Cyclopentylidenemethoxy)ethyl]thiepane 1,1-dioxide
CID 176603218
3-[2-(Cyclopentylidenemethoxy)ethyl]thiepane
CID 176603342
2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methylthiepane
CID 176603428
3-[3-(Cyclopentylidenemethoxy)propyl]-3-ethylthiepane 1-oxide
CID 176603500
2-(Cyclopentylidenemethoxymethyl)-2-ethylthiepane 1-oxide
CID 176603515
4-[3-(Cyclopentylidenemethoxy)propyl]-4-ethylthiepane
CID 176603519
2-Ethyl-2-(2-methylprop-1-enoxymethyl)thiepane
CID 176603542

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclopentylidenemethoxy)propyl]thiepane?
The IUPAC name of 3-[3-(cyclopentylidenemethoxy)propyl]thiepane (CID 176604173) is 3-[3-(cyclopentylidenemethoxy)propyl]thiepane.
What is the SMILES notation for 3-[3-(cyclopentylidenemethoxy)propyl]thiepane?
The canonical SMILES for 3-[3-(cyclopentylidenemethoxy)propyl]thiepane is C(OCCCC1CCCCSC1)=C1CCCC1.
What is the InChIKey of 3-[3-(cyclopentylidenemethoxy)propyl]thiepane?
The InChIKey is KCYJSYMWRYNRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26OS/c1-2-7-14(6-1)12-16-10-5-9-15-8-3-4-11-17-13-15/h12,15H,1-11,13H2.
What are the key properties of 3-[3-(cyclopentylidenemethoxy)propyl]thiepane?
3-[3-(cyclopentylidenemethoxy)propyl]thiepane has a molecular weight of 254.44 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclopentylidenemethoxy)propyl]thiepane is sourced from PubChem (CID 176604173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).