2-[3-(cyclohexylidenemethoxy)propyl]-2-ethylthiolane

C16H28OS — CID 176603868

IUPAC2-[3-(cyclohexylidenemethoxy)propyl]-2-ethylthiolane
SMILESCCC1(CCCOC=C2CCCCC2)CCCS1
InChIInChI=1S/C16H28OS/c1-2-16(11-7-13-18-16)10-6-12-17-14-15-8-4-3-5-9-15/h14H,2-13H2,1H3
InChIKeyRZPOXWAVLKAJAD-UHFFFAOYSA-N
MW268.47 g/mol
LogP5.31
Rot. Bonds6

About 2-[3-(cyclohexylidenemethoxy)propyl]-2-ethylthiolane

2-[3-(cyclohexylidenemethoxy)propyl]-2-ethylthiolane (PubChem CID 176603868) has the molecular formula C16H28OS and a molecular weight of 268.47 g/mol. Its IUPAC name is 2-[3-(cyclohexylidenemethoxy)propyl]-2-ethylthiolane.

Molecular Properties

Compound Name2-[3-(cyclohexylidenemethoxy)propyl]-2-ethylthiolane
PubChem CID176603868
Molecular FormulaC16H28OS
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Name2-[3-(cyclohexylidenemethoxy)propyl]-2-ethylthiolane
SMILESCCC1(CCCOC=C2CCCCC2)CCCS1
InChIInChI=1S/C16H28OS/c1-2-16(11-7-13-18-16)10-6-12-17-14-15-8-4-3-5-9-15/h14H,2-13H2,1H3
InChIKeyRZPOXWAVLKAJAD-UHFFFAOYSA-N
XLogP5.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.47
LogP ≤ 55.31
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]thiolane
CID 176602921
2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methylthiolane
CID 176602956
2-(Cyclopentylidenemethoxymethyl)-2-ethylthiolane
CID 176603139
3-[2-(Cyclohexylidenemethoxy)ethyl]thiolane
CID 176603151
3-[2-(Cyclohexylidenemethoxy)ethyl]thiocane
CID 176603152
4-[3-(Cyclopentylidenemethoxy)propyl]-4-ethylthiane
CID 176603158
2-[3-(Cyclohexylidenemethoxy)propyl]-2-ethylthiocane
CID 176603164
3-[3-(Cyclohexylidenemethoxy)propyl]-3-ethylthiolane
CID 176603177
2-(Cyclohexylidenemethoxymethyl)-2-ethylthiocane
CID 176603205
3-[2-(Cyclohexylidenemethoxy)ethyl]-3-methylthiocane
CID 176603251
3-[3-(Cyclopentylidenemethoxy)propyl]-3-ethylthiane
CID 176603254
2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methylthiolane 1-oxide
CID 176603289

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclohexylidenemethoxy)propyl]-2-ethylthiolane?
The IUPAC name of 2-[3-(cyclohexylidenemethoxy)propyl]-2-ethylthiolane (CID 176603868) is 2-[3-(cyclohexylidenemethoxy)propyl]-2-ethylthiolane.
What is the SMILES notation for 2-[3-(cyclohexylidenemethoxy)propyl]-2-ethylthiolane?
The canonical SMILES for 2-[3-(cyclohexylidenemethoxy)propyl]-2-ethylthiolane is CCC1(CCCOC=C2CCCCC2)CCCS1.
What is the InChIKey of 2-[3-(cyclohexylidenemethoxy)propyl]-2-ethylthiolane?
The InChIKey is RZPOXWAVLKAJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28OS/c1-2-16(11-7-13-18-16)10-6-12-17-14-15-8-4-3-5-9-15/h14H,2-13H2,1H3.
What are the key properties of 2-[3-(cyclohexylidenemethoxy)propyl]-2-ethylthiolane?
2-[3-(cyclohexylidenemethoxy)propyl]-2-ethylthiolane has a molecular weight of 268.47 g/mol, XLogP of 5.31, 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-ethylthiolane is sourced from PubChem (CID 176603868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).