3-[1-(cyclopentylidenemethoxy)ethyl]thiepane

C14H24OS — CID 176603207

IUPAC3-[1-(cyclopentylidenemethoxy)ethyl]thiepane
SMILESCC(OC=C1CCCC1)C1CCCCSC1
InChIInChI=1S/C14H24OS/c1-12(14-8-4-5-9-16-11-14)15-10-13-6-2-3-7-13/h10,12,14H,2-9,11H2,1H3
InChIKeySKNRWVCNJARVAA-UHFFFAOYSA-N
MW240.41 g/mol
LogP4.38
Rot. Bonds3

About 3-[1-(cyclopentylidenemethoxy)ethyl]thiepane

3-[1-(cyclopentylidenemethoxy)ethyl]thiepane (PubChem CID 176603207) has the molecular formula C14H24OS and a molecular weight of 240.41 g/mol. Its IUPAC name is 3-[1-(cyclopentylidenemethoxy)ethyl]thiepane.

Molecular Properties

Compound Name3-[1-(cyclopentylidenemethoxy)ethyl]thiepane
PubChem CID176603207
Molecular FormulaC14H24OS
Molecular Weight240.41 g/mol
Exact Mass240.15
IUPAC Name3-[1-(cyclopentylidenemethoxy)ethyl]thiepane
SMILESCC(OC=C1CCCC1)C1CCCCSC1
InChIInChI=1S/C14H24OS/c1-12(14-8-4-5-9-16-11-14)15-10-13-6-2-3-7-13/h10,12,14H,2-9,11H2,1H3
InChIKeySKNRWVCNJARVAA-UHFFFAOYSA-N
XLogP4.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.41
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2-Methylprop-1-enoxy)ethyl]thiepane
CID 176603106
3-[2-(Cyclopentylidenemethoxy)ethyl]thiepane
CID 176603342
2-[2-(Cyclopentylidenemethoxy)ethyl]-2-methylthiolane
CID 176603352
2-[1-(Cyclopentylidenemethoxy)ethyl]thiane
CID 176603422
4-[3-(Cyclopentylidenemethoxy)propyl]-4-ethylthiepane
CID 176603519
3-[1-(2-Methylprop-1-enoxy)ethyl]thiepane
CID 176603822
2-(Cyclopentylidenemethoxymethyl)thiepane
CID 176603893
3-[1-(Cyclohexylidenemethoxy)ethyl]thiepane 1-oxide
CID 176603923
4-[1-(Cyclopentylidenemethoxy)ethyl]thiocane 1-oxide
CID 176604039
3-[2-(Cyclopentylidenemethoxy)ethyl]thiane
CID 176604124
3-[3-(Cyclopentylidenemethoxy)propyl]thiepane
CID 176604173
3-[1-[(E)-prop-1-enoxy]ethyl]thiepane
CID 176604186

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclopentylidenemethoxy)ethyl]thiepane?
The IUPAC name of 3-[1-(cyclopentylidenemethoxy)ethyl]thiepane (CID 176603207) is 3-[1-(cyclopentylidenemethoxy)ethyl]thiepane.
What is the SMILES notation for 3-[1-(cyclopentylidenemethoxy)ethyl]thiepane?
The canonical SMILES for 3-[1-(cyclopentylidenemethoxy)ethyl]thiepane is CC(OC=C1CCCC1)C1CCCCSC1.
What is the InChIKey of 3-[1-(cyclopentylidenemethoxy)ethyl]thiepane?
The InChIKey is SKNRWVCNJARVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24OS/c1-12(14-8-4-5-9-16-11-14)15-10-13-6-2-3-7-13/h10,12,14H,2-9,11H2,1H3.
What are the key properties of 3-[1-(cyclopentylidenemethoxy)ethyl]thiepane?
3-[1-(cyclopentylidenemethoxy)ethyl]thiepane has a molecular weight of 240.41 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclopentylidenemethoxy)ethyl]thiepane is sourced from PubChem (CID 176603207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).