3-[2-(cyclopentylidenemethoxy)ethyl]-3-methylthietane

C12H20OS — CID 176603303

IUPAC3-[2-(cyclopentylidenemethoxy)ethyl]-3-methylthietane
SMILESCC1(CCOC=C2CCCC2)CSC1
InChIInChI=1S/C12H20OS/c1-12(9-14-10-12)6-7-13-8-11-4-2-3-5-11/h8H,2-7,9-10H2,1H3
InChIKeyZVKGJQWPSYCELA-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.60
Rot. Bonds4

About 3-[2-(cyclopentylidenemethoxy)ethyl]-3-methylthietane

3-[2-(cyclopentylidenemethoxy)ethyl]-3-methylthietane (PubChem CID 176603303) has the molecular formula C12H20OS and a molecular weight of 212.36 g/mol. Its IUPAC name is 3-[2-(cyclopentylidenemethoxy)ethyl]-3-methylthietane.

Molecular Properties

Compound Name3-[2-(cyclopentylidenemethoxy)ethyl]-3-methylthietane
PubChem CID176603303
Molecular FormulaC12H20OS
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name3-[2-(cyclopentylidenemethoxy)ethyl]-3-methylthietane
SMILESCC1(CCOC=C2CCCC2)CSC1
InChIInChI=1S/C12H20OS/c1-12(9-14-10-12)6-7-13-8-11-4-2-3-5-11/h8H,2-7,9-10H2,1H3
InChIKeyZVKGJQWPSYCELA-UHFFFAOYSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 53.60
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-methylthietane 1-oxide
CID 176603276
2-(Cyclopentylidenemethoxymethyl)-2-ethylthiirane
CID 176603545
3-(Cyclopentylidenemethoxymethyl)-3-methylthietane 1-oxide
CID 176603593
3-[1-(Cyclopentylidenemethoxy)ethyl]thietane
CID 176603599
3-(Cyclopentylidenemethoxymethyl)-3-ethylthietane 1,1-dioxide
CID 176603703
3-(Cyclopentylidenemethoxymethyl)-3-methylthietane
CID 176603708
2-[2-(Cyclopentylidenemethoxy)ethyl]-2-methylthiirane
CID 176603836
3-[3-(Cyclopentylidenemethoxy)propyl]-3-ethylthietane
CID 176603855
3-(Cyclopentylidenemethoxymethyl)thietane
CID 176603861
3-[2-(Cyclopentylidenemethoxy)ethyl]-3-methylthiolane
CID 176603887
3-[2-(Cyclohexylidenemethoxy)ethyl]-3-methylthietane
CID 176604102
3-(Cyclopentylidenemethoxymethyl)-3-methylthiane
CID 176604194

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopentylidenemethoxy)ethyl]-3-methylthietane?
The IUPAC name of 3-[2-(cyclopentylidenemethoxy)ethyl]-3-methylthietane (CID 176603303) is 3-[2-(cyclopentylidenemethoxy)ethyl]-3-methylthietane.
What is the SMILES notation for 3-[2-(cyclopentylidenemethoxy)ethyl]-3-methylthietane?
The canonical SMILES for 3-[2-(cyclopentylidenemethoxy)ethyl]-3-methylthietane is CC1(CCOC=C2CCCC2)CSC1.
What is the InChIKey of 3-[2-(cyclopentylidenemethoxy)ethyl]-3-methylthietane?
The InChIKey is ZVKGJQWPSYCELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20OS/c1-12(9-14-10-12)6-7-13-8-11-4-2-3-5-11/h8H,2-7,9-10H2,1H3.
What are the key properties of 3-[2-(cyclopentylidenemethoxy)ethyl]-3-methylthietane?
3-[2-(cyclopentylidenemethoxy)ethyl]-3-methylthietane has a molecular weight of 212.36 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopentylidenemethoxy)ethyl]-3-methylthietane is sourced from PubChem (CID 176603303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).