4-[3-(cyclopentylidenemethoxy)propyl]-4-ethylthiepane

C17H30OS — CID 176603519

IUPAC4-[3-(cyclopentylidenemethoxy)propyl]-4-ethylthiepane
SMILESCCC1(CCCOC=C2CCCC2)CCCSCC1
InChIInChI=1S/C17H30OS/c1-2-17(10-6-13-19-14-11-17)9-5-12-18-15-16-7-3-4-8-16/h15H,2-14H2,1H3
InChIKeyDCYFSWZCYHDNLP-UHFFFAOYSA-N
MW282.49 g/mol
LogP5.55
Rot. Bonds6

About 4-[3-(cyclopentylidenemethoxy)propyl]-4-ethylthiepane

4-[3-(cyclopentylidenemethoxy)propyl]-4-ethylthiepane (PubChem CID 176603519) has the molecular formula C17H30OS and a molecular weight of 282.49 g/mol. Its IUPAC name is 4-[3-(cyclopentylidenemethoxy)propyl]-4-ethylthiepane.

Molecular Properties

Compound Name4-[3-(cyclopentylidenemethoxy)propyl]-4-ethylthiepane
PubChem CID176603519
Molecular FormulaC17H30OS
Molecular Weight282.49 g/mol
Exact Mass282.20
IUPAC Name4-[3-(cyclopentylidenemethoxy)propyl]-4-ethylthiepane
SMILESCCC1(CCCOC=C2CCCC2)CCCSCC1
InChIInChI=1S/C17H30OS/c1-2-17(10-6-13-19-14-11-17)9-5-12-18-15-16-7-3-4-8-16/h15H,2-14H2,1H3
InChIKeyDCYFSWZCYHDNLP-UHFFFAOYSA-N
XLogP5.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.49
LogP ≤ 55.55
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'}

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Related Compounds

3-[2-(Cyclopentylidenemethoxy)ethyl]-3-methylthiocane
CID 176602953
4-[3-(Cyclopentylidenemethoxy)propyl]-4-ethylthiane
CID 176603158
3-[3-(Cyclohexylidenemethoxy)propyl]-3-ethylthiolane
CID 176603177
3-[1-(Cyclopentylidenemethoxy)ethyl]thiepane
CID 176603207
3-[3-(Cyclopentylidenemethoxy)propyl]-3-ethylthiane
CID 176603254
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
2-[2-(Cyclopentylidenemethoxy)ethyl]-2-methylthiepane 1-oxide
CID 176603586
3-[3-(Cyclopentylidenemethoxy)propyl]-3-ethylthiolane
CID 176603717
3-[3-(Cyclopentylidenemethoxy)propyl]-3-ethylthietane
CID 176603855

Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyclopentylidenemethoxy)propyl]-4-ethylthiepane?
The IUPAC name of 4-[3-(cyclopentylidenemethoxy)propyl]-4-ethylthiepane (CID 176603519) is 4-[3-(cyclopentylidenemethoxy)propyl]-4-ethylthiepane.
What is the SMILES notation for 4-[3-(cyclopentylidenemethoxy)propyl]-4-ethylthiepane?
The canonical SMILES for 4-[3-(cyclopentylidenemethoxy)propyl]-4-ethylthiepane is CCC1(CCCOC=C2CCCC2)CCCSCC1.
What is the InChIKey of 4-[3-(cyclopentylidenemethoxy)propyl]-4-ethylthiepane?
The InChIKey is DCYFSWZCYHDNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30OS/c1-2-17(10-6-13-19-14-11-17)9-5-12-18-15-16-7-3-4-8-16/h15H,2-14H2,1H3.
What are the key properties of 4-[3-(cyclopentylidenemethoxy)propyl]-4-ethylthiepane?
4-[3-(cyclopentylidenemethoxy)propyl]-4-ethylthiepane has a molecular weight of 282.49 g/mol, XLogP of 5.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(cyclopentylidenemethoxy)propyl]-4-ethylthiepane is sourced from PubChem (CID 176603519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).