4-[2-(cyclopentylidenemethoxy)ethyl]-4-methylthiane 1,1-dioxide

C14H24O3S — CID 176603101

IUPAC4-[2-(cyclopentylidenemethoxy)ethyl]-4-methylthiane 1,1-dioxide
SMILESCC1(CCOC=C2CCCC2)CCS(=O)(=O)CC1
InChIInChI=1S/C14H24O3S/c1-14(7-10-18(15,16)11-8-14)6-9-17-12-13-4-2-3-5-13/h12H,2-11H2,1H3
InChIKeyVANCDTSYZXVFEI-UHFFFAOYSA-N
MW272.41 g/mol
LogP3.07
Rot. Bonds4

About 4-[2-(cyclopentylidenemethoxy)ethyl]-4-methylthiane 1,1-dioxide

4-[2-(cyclopentylidenemethoxy)ethyl]-4-methylthiane 1,1-dioxide (PubChem CID 176603101) has the molecular formula C14H24O3S and a molecular weight of 272.41 g/mol. Its IUPAC name is 4-[2-(cyclopentylidenemethoxy)ethyl]-4-methylthiane 1,1-dioxide.

Molecular Properties

Compound Name4-[2-(cyclopentylidenemethoxy)ethyl]-4-methylthiane 1,1-dioxide
PubChem CID176603101
Molecular FormulaC14H24O3S
Molecular Weight272.41 g/mol
Exact Mass272.14
IUPAC Name4-[2-(cyclopentylidenemethoxy)ethyl]-4-methylthiane 1,1-dioxide
SMILESCC1(CCOC=C2CCCC2)CCS(=O)(=O)CC1
InChIInChI=1S/C14H24O3S/c1-14(7-10-18(15,16)11-8-14)6-9-17-12-13-4-2-3-5-13/h12H,2-11H2,1H3
InChIKeyVANCDTSYZXVFEI-UHFFFAOYSA-N
XLogP3.07
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(Cyclohexylidenemethoxymethyl)-3-ethylthiolane 1,1-dioxide
CID 176602925
4-[2-(2-Methylprop-1-enoxy)ethyl]thiane 1,1-dioxide
CID 176602955
3-[2-(Cyclohexylidenemethoxy)ethyl]-3-methylthiolane 1,1-dioxide
CID 176602963
4-[3-(Cyclohexylidenemethoxy)propyl]-4-ethylthiane 1,1-dioxide
CID 176602974
4-(Cyclohexylidenemethoxymethyl)-4-methylthiane 1,1-dioxide
CID 176602986
3-[3-(Cyclohexylidenemethoxy)propyl]-3-ethylthiolane 1,1-dioxide
CID 176603077
3-[2-(Cyclopentylidenemethoxy)ethyl]thiolane 1,1-dioxide
CID 176603092
3-[1-(Cyclopentylidenemethoxy)ethyl]thiane 1,1-dioxide
CID 176603111
4-[3-(Cyclopentylidenemethoxy)propyl]thiane 1,1-dioxide
CID 176603112
3-[2-(Cyclopentylidenemethoxy)ethyl]-3-methylthiane 1-oxide
CID 176603126
4-(Cyclopentylidenemethoxymethyl)thiane 1,1-dioxide
CID 176603172
3-(Cyclopentylidenemethoxymethyl)-3-ethylthiane 1-oxide
CID 176603214

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopentylidenemethoxy)ethyl]-4-methylthiane 1,1-dioxide?
The IUPAC name of 4-[2-(cyclopentylidenemethoxy)ethyl]-4-methylthiane 1,1-dioxide (CID 176603101) is 4-[2-(cyclopentylidenemethoxy)ethyl]-4-methylthiane 1,1-dioxide.
What is the SMILES notation for 4-[2-(cyclopentylidenemethoxy)ethyl]-4-methylthiane 1,1-dioxide?
The canonical SMILES for 4-[2-(cyclopentylidenemethoxy)ethyl]-4-methylthiane 1,1-dioxide is CC1(CCOC=C2CCCC2)CCS(=O)(=O)CC1.
What is the InChIKey of 4-[2-(cyclopentylidenemethoxy)ethyl]-4-methylthiane 1,1-dioxide?
The InChIKey is VANCDTSYZXVFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3S/c1-14(7-10-18(15,16)11-8-14)6-9-17-12-13-4-2-3-5-13/h12H,2-11H2,1H3.
What are the key properties of 4-[2-(cyclopentylidenemethoxy)ethyl]-4-methylthiane 1,1-dioxide?
4-[2-(cyclopentylidenemethoxy)ethyl]-4-methylthiane 1,1-dioxide has a molecular weight of 272.41 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopentylidenemethoxy)ethyl]-4-methylthiane 1,1-dioxide is sourced from PubChem (CID 176603101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).