2-[3-(cyclohexylidenemethoxy)propyl]-2-ethylthiirane 1-oxide

C14H24O2S — CID 176603790

IUPAC2-[3-(cyclohexylidenemethoxy)propyl]-2-ethylthiirane 1-oxide
SMILESCCC1(CCCOC=C2CCCCC2)CS1=O
InChIInChI=1S/C14H24O2S/c1-2-14(12-17(14)15)9-6-10-16-11-13-7-4-3-5-8-13/h11H,2-10,12H2,1H3
InChIKeyNFMSDMMOSHAIMK-UHFFFAOYSA-N
MW256.41 g/mol
LogP3.54
Rot. Bonds6

About 2-[3-(cyclohexylidenemethoxy)propyl]-2-ethylthiirane 1-oxide

2-[3-(cyclohexylidenemethoxy)propyl]-2-ethylthiirane 1-oxide (PubChem CID 176603790) has the molecular formula C14H24O2S and a molecular weight of 256.41 g/mol. Its IUPAC name is 2-[3-(cyclohexylidenemethoxy)propyl]-2-ethylthiirane 1-oxide.

Molecular Properties

Compound Name2-[3-(cyclohexylidenemethoxy)propyl]-2-ethylthiirane 1-oxide
PubChem CID176603790
Molecular FormulaC14H24O2S
Molecular Weight256.41 g/mol
Exact Mass256.15
IUPAC Name2-[3-(cyclohexylidenemethoxy)propyl]-2-ethylthiirane 1-oxide
SMILESCCC1(CCCOC=C2CCCCC2)CS1=O
InChIInChI=1S/C14H24O2S/c1-2-14(12-17(14)15)9-6-10-16-11-13-7-4-3-5-8-13/h11H,2-10,12H2,1H3
InChIKeyNFMSDMMOSHAIMK-UHFFFAOYSA-N
XLogP3.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

3-(Cyclohexylidenemethoxymethyl)-3-methylthiepane 1-oxide
CID 176602990
2-(Cyclohexylidenemethoxymethyl)-2-ethylthiane 1,1-dioxide
CID 176603023
4-[3-(Cyclohexylidenemethoxy)propyl]-4-ethylthiane 1-oxide
CID 176603053
2-Ethyl-2-[3-(2-methylprop-1-enoxy)propyl]thiirane 1,1-dioxide
CID 176603163
2-[3-(Cyclopentylidenemethoxy)propyl]-2-ethylthiirane 1,1-dioxide
CID 176603183
2-(Cyclopentylidenemethoxymethyl)-2-ethylthiane 1-oxide
CID 176603284
2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methylthiolane 1-oxide
CID 176603289
2-[3-(Cyclohexylidenemethoxy)propyl]thiirane 1,1-dioxide
CID 176603496
3-[3-(Cyclohexylidenemethoxy)propyl]-3-ethylthietane 1-oxide
CID 176603616
2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methylthiirane 1-oxide
CID 176603739
3-[2-(Cyclohexylidenemethoxy)ethyl]-3-methylthiane 1-oxide
CID 176603740
2-(Cyclohexylidenemethoxymethyl)-2-ethylthiolane 1-oxide
CID 176603765

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclohexylidenemethoxy)propyl]-2-ethylthiirane 1-oxide?
The IUPAC name of 2-[3-(cyclohexylidenemethoxy)propyl]-2-ethylthiirane 1-oxide (CID 176603790) is 2-[3-(cyclohexylidenemethoxy)propyl]-2-ethylthiirane 1-oxide.
What is the SMILES notation for 2-[3-(cyclohexylidenemethoxy)propyl]-2-ethylthiirane 1-oxide?
The canonical SMILES for 2-[3-(cyclohexylidenemethoxy)propyl]-2-ethylthiirane 1-oxide is CCC1(CCCOC=C2CCCCC2)CS1=O.
What is the InChIKey of 2-[3-(cyclohexylidenemethoxy)propyl]-2-ethylthiirane 1-oxide?
The InChIKey is NFMSDMMOSHAIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2S/c1-2-14(12-17(14)15)9-6-10-16-11-13-7-4-3-5-8-13/h11H,2-10,12H2,1H3.
What are the key properties of 2-[3-(cyclohexylidenemethoxy)propyl]-2-ethylthiirane 1-oxide?
2-[3-(cyclohexylidenemethoxy)propyl]-2-ethylthiirane 1-oxide has a molecular weight of 256.41 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclohexylidenemethoxy)propyl]-2-ethylthiirane 1-oxide is sourced from PubChem (CID 176603790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).