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

C14H24OS — CID 176603855

IUPAC3-[3-(cyclopentylidenemethoxy)propyl]-3-ethylthietane
SMILESCCC1(CCCOC=C2CCCC2)CSC1
InChIInChI=1S/C14H24OS/c1-2-14(11-16-12-14)8-5-9-15-10-13-6-3-4-7-13/h10H,2-9,11-12H2,1H3
InChIKeyPVDYKRQMTCBRCC-UHFFFAOYSA-N
MW240.41 g/mol
LogP4.38
Rot. Bonds6

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

3-[3-(cyclopentylidenemethoxy)propyl]-3-ethylthietane (PubChem CID 176603855) has the molecular formula C14H24OS and a molecular weight of 240.41 g/mol. Its IUPAC name is 3-[3-(cyclopentylidenemethoxy)propyl]-3-ethylthietane.

Molecular Properties

Compound Name3-[3-(cyclopentylidenemethoxy)propyl]-3-ethylthietane
PubChem CID176603855
Molecular FormulaC14H24OS
Molecular Weight240.41 g/mol
Exact Mass240.15
IUPAC Name3-[3-(cyclopentylidenemethoxy)propyl]-3-ethylthietane
SMILESCCC1(CCCOC=C2CCCC2)CSC1
InChIInChI=1S/C14H24OS/c1-2-14(11-16-12-14)8-5-9-15-10-13-6-3-4-7-13/h10H,2-9,11-12H2,1H3
InChIKeyPVDYKRQMTCBRCC-UHFFFAOYSA-N
XLogP4.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-(Cyclopentylidenemethoxy)propyl]-4-ethylthiane
CID 176603158
3-[3-(Cyclohexylidenemethoxy)propyl]-3-ethylthiolane
CID 176603177
3-[3-(Cyclopentylidenemethoxy)propyl]-3-ethylthiane
CID 176603254
3-[2-(Cyclopentylidenemethoxy)ethyl]-3-methylthietane
CID 176603303
2-[2-(Cyclopentylidenemethoxy)ethyl]-2-methylthiolane
CID 176603352
4-[3-(Cyclopentylidenemethoxy)propyl]-4-ethylthiepane
CID 176603519
3-[3-(Cyclopentylidenemethoxy)propyl]-3-ethylthietane 1-oxide
CID 176603580
3-[3-(Cyclohexylidenemethoxy)propyl]-3-ethylthietane 1-oxide
CID 176603616
2-[3-(Cyclopentylidenemethoxy)propyl]-2-ethyl-1,4-dithiane
CID 176603667
3-[3-(Cyclopentylidenemethoxy)propyl]-3-ethylthiolane
CID 176603717
3-(Cyclopentylidenemethoxymethyl)-3-ethylthiane
CID 176604155
2-(Cyclopentylidenemethoxymethyl)-2-ethylthiane
CID 176604314

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclopentylidenemethoxy)propyl]-3-ethylthietane?
The IUPAC name of 3-[3-(cyclopentylidenemethoxy)propyl]-3-ethylthietane (CID 176603855) is 3-[3-(cyclopentylidenemethoxy)propyl]-3-ethylthietane.
What is the SMILES notation for 3-[3-(cyclopentylidenemethoxy)propyl]-3-ethylthietane?
The canonical SMILES for 3-[3-(cyclopentylidenemethoxy)propyl]-3-ethylthietane is CCC1(CCCOC=C2CCCC2)CSC1.
What is the InChIKey of 3-[3-(cyclopentylidenemethoxy)propyl]-3-ethylthietane?
The InChIKey is PVDYKRQMTCBRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24OS/c1-2-14(11-16-12-14)8-5-9-15-10-13-6-3-4-7-13/h10H,2-9,11-12H2,1H3.
What are the key properties of 3-[3-(cyclopentylidenemethoxy)propyl]-3-ethylthietane?
3-[3-(cyclopentylidenemethoxy)propyl]-3-ethylthietane has a molecular weight of 240.41 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclopentylidenemethoxy)propyl]-3-ethylthietane is sourced from PubChem (CID 176603855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).