4-[3-(cyclohexylidenemethoxy)propyl]-4-ethylthiane 1-oxide

C17H30O2S — CID 176603053

IUPAC4-[3-(cyclohexylidenemethoxy)propyl]-4-ethylthiane 1-oxide
SMILESCCC1(CCCOC=C2CCCCC2)CCS(=O)CC1
InChIInChI=1S/C17H30O2S/c1-2-17(10-13-20(18)14-11-17)9-6-12-19-15-16-7-4-3-5-8-16/h15H,2-14H2,1H3
InChIKeyRWMLZEZBDFQLOL-UHFFFAOYSA-N
MW298.49 g/mol
LogP4.57
Rot. Bonds6

About 4-[3-(cyclohexylidenemethoxy)propyl]-4-ethylthiane 1-oxide

4-[3-(cyclohexylidenemethoxy)propyl]-4-ethylthiane 1-oxide (PubChem CID 176603053) has the molecular formula C17H30O2S and a molecular weight of 298.49 g/mol. Its IUPAC name is 4-[3-(cyclohexylidenemethoxy)propyl]-4-ethylthiane 1-oxide.

Molecular Properties

Compound Name4-[3-(cyclohexylidenemethoxy)propyl]-4-ethylthiane 1-oxide
PubChem CID176603053
Molecular FormulaC17H30O2S
Molecular Weight298.49 g/mol
Exact Mass298.20
IUPAC Name4-[3-(cyclohexylidenemethoxy)propyl]-4-ethylthiane 1-oxide
SMILESCCC1(CCCOC=C2CCCCC2)CCS(=O)CC1
InChIInChI=1S/C17H30O2S/c1-2-17(10-13-20(18)14-11-17)9-6-12-19-15-16-7-4-3-5-8-16/h15H,2-14H2,1H3
InChIKeyRWMLZEZBDFQLOL-UHFFFAOYSA-N
XLogP4.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.49
LogP ≤ 54.57
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-[3-(Cyclopentylidenemethoxy)propyl]-2-ethylthiane 1-oxide
CID 176602962
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-(Cyclohexylidenemethoxymethyl)-3-methylthiepane 1-oxide
CID 176602990
4-Ethyl-4-[3-(2-methylprop-1-enoxy)propyl]thiane 1-oxide
CID 176603005
4-[3-(Cyclohexylidenemethoxy)propyl]-4-ethylthiepane 1,1-dioxide
CID 176603007
2-(Cyclohexylidenemethoxymethyl)-2-ethylthiane 1,1-dioxide
CID 176603023
4-[2-(Cyclohexylidenemethoxy)ethyl]-4-methylthiane
CID 176603064
3-[3-(Cyclohexylidenemethoxy)propyl]-3-ethylthiolane 1,1-dioxide
CID 176603077

Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyclohexylidenemethoxy)propyl]-4-ethylthiane 1-oxide?
The IUPAC name of 4-[3-(cyclohexylidenemethoxy)propyl]-4-ethylthiane 1-oxide (CID 176603053) is 4-[3-(cyclohexylidenemethoxy)propyl]-4-ethylthiane 1-oxide.
What is the SMILES notation for 4-[3-(cyclohexylidenemethoxy)propyl]-4-ethylthiane 1-oxide?
The canonical SMILES for 4-[3-(cyclohexylidenemethoxy)propyl]-4-ethylthiane 1-oxide is CCC1(CCCOC=C2CCCCC2)CCS(=O)CC1.
What is the InChIKey of 4-[3-(cyclohexylidenemethoxy)propyl]-4-ethylthiane 1-oxide?
The InChIKey is RWMLZEZBDFQLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2S/c1-2-17(10-13-20(18)14-11-17)9-6-12-19-15-16-7-4-3-5-8-16/h15H,2-14H2,1H3.
What are the key properties of 4-[3-(cyclohexylidenemethoxy)propyl]-4-ethylthiane 1-oxide?
4-[3-(cyclohexylidenemethoxy)propyl]-4-ethylthiane 1-oxide has a molecular weight of 298.49 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(cyclohexylidenemethoxy)propyl]-4-ethylthiane 1-oxide is sourced from PubChem (CID 176603053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).