2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiane 1-oxide

C14H24O2S — CID 176603333

IUPAC2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiane 1-oxide
SMILESCC1(CCOC=C2CCCC2)CCCCS1=O
InChIInChI=1S/C14H24O2S/c1-14(8-4-5-11-17(14)15)9-10-16-12-13-6-2-3-7-13/h12H,2-11H2,1H3
InChIKeyBHKKMNWWQDAWDG-UHFFFAOYSA-N
MW256.41 g/mol
LogP3.54
Rot. Bonds4

About 2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiane 1-oxide

2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiane 1-oxide (PubChem CID 176603333) has the molecular formula C14H24O2S and a molecular weight of 256.41 g/mol. Its IUPAC name is 2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiane 1-oxide.

Molecular Properties

Compound Name2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiane 1-oxide
PubChem CID176603333
Molecular FormulaC14H24O2S
Molecular Weight256.41 g/mol
Exact Mass256.15
IUPAC Name2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiane 1-oxide
SMILESCC1(CCOC=C2CCCC2)CCCCS1=O
InChIInChI=1S/C14H24O2S/c1-14(8-4-5-11-17(14)15)9-10-16-12-13-6-2-3-7-13/h12H,2-11H2,1H3
InChIKeyBHKKMNWWQDAWDG-UHFFFAOYSA-N
XLogP3.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 53.54
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-[3-(Cyclohexylidenemethoxy)propyl]-3-ethylthiane 1-oxide
CID 176602905
2-[3-(Cyclohexylidenemethoxy)propyl]-2-ethylthiane 1-oxide
CID 176602911
2-(Cyclopentylidenemethoxymethyl)-2-ethylthiepane 1,1-dioxide
CID 176602952
2-[3-(Cyclopentylidenemethoxy)propyl]-2-ethylthiane 1-oxide
CID 176602962
2-Methyl-2-(2-methylprop-1-enoxymethyl)thiane 1-oxide
CID 176602999
2-Methyl-2-[2-(2-methylprop-1-enoxy)ethyl]thiane 1-oxide
CID 176603004
2-(Cyclohexylidenemethoxymethyl)-2-ethylthiane 1,1-dioxide
CID 176603023
3-[2-(2-Methylprop-1-enoxy)ethyl]thiane 1-oxide
CID 176603043
4-[3-(Cyclohexylidenemethoxy)propyl]-4-ethylthiane 1-oxide
CID 176603053
3-[3-(Cyclopentylidenemethoxy)propyl]thiepane 1,1-dioxide
CID 176603080
3-[1-(Cyclopentylidenemethoxy)ethyl]thiane 1,1-dioxide
CID 176603111
4-[3-(Cyclopentylidenemethoxy)propyl]thiane 1,1-dioxide
CID 176603112

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiane 1-oxide?
The IUPAC name of 2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiane 1-oxide (CID 176603333) is 2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiane 1-oxide.
What is the SMILES notation for 2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiane 1-oxide?
The canonical SMILES for 2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiane 1-oxide is CC1(CCOC=C2CCCC2)CCCCS1=O.
What is the InChIKey of 2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiane 1-oxide?
The InChIKey is BHKKMNWWQDAWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2S/c1-14(8-4-5-11-17(14)15)9-10-16-12-13-6-2-3-7-13/h12H,2-11H2,1H3.
What are the key properties of 2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiane 1-oxide?
2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiane 1-oxide has a molecular weight of 256.41 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiane 1-oxide is sourced from PubChem (CID 176603333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).