2-[2-(cyclohexylidenemethoxy)ethyl]-2-methylthiane 1,1-dioxide

C15H26O3S — CID 176603573

IUPAC2-[2-(cyclohexylidenemethoxy)ethyl]-2-methylthiane 1,1-dioxide
SMILESCC1(CCOC=C2CCCCC2)CCCCS1(=O)=O
InChIInChI=1S/C15H26O3S/c1-15(9-5-6-12-19(15,16)17)10-11-18-13-14-7-3-2-4-8-14/h13H,2-12H2,1H3
InChIKeyBUNSXDXFZPNMTM-UHFFFAOYSA-N
MW286.44 g/mol
LogP3.60
Rot. Bonds4

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

2-[2-(cyclohexylidenemethoxy)ethyl]-2-methylthiane 1,1-dioxide (PubChem CID 176603573) has the molecular formula C15H26O3S and a molecular weight of 286.44 g/mol. Its IUPAC name is 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methylthiane 1,1-dioxide.

Molecular Properties

Compound Name2-[2-(cyclohexylidenemethoxy)ethyl]-2-methylthiane 1,1-dioxide
PubChem CID176603573
Molecular FormulaC15H26O3S
Molecular Weight286.44 g/mol
Exact Mass286.16
IUPAC Name2-[2-(cyclohexylidenemethoxy)ethyl]-2-methylthiane 1,1-dioxide
SMILESCC1(CCOC=C2CCCCC2)CCCCS1(=O)=O
InChIInChI=1S/C15H26O3S/c1-15(9-5-6-12-19(15,16)17)10-11-18-13-14-7-3-2-4-8-14/h13H,2-12H2,1H3
InChIKeyBUNSXDXFZPNMTM-UHFFFAOYSA-N
XLogP3.60
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 53.60
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-[3-(Cyclohexylidenemethoxy)propyl]-3-ethylthiane 1-oxide
CID 176602905
2-[3-(Cyclohexylidenemethoxy)propyl]-2-ethylthiane 1-oxide
CID 176602911
2-[1-(Cyclohexylidenemethoxy)ethyl]thiane 1-oxide
CID 176602954
2-[3-(Cyclopentylidenemethoxy)propyl]-2-ethylthiane 1-oxide
CID 176602962
4-[3-(Cyclohexylidenemethoxy)propyl]-4-ethylthiane 1,1-dioxide
CID 176602974
4-(Cyclohexylidenemethoxymethyl)-4-methylthiane 1,1-dioxide
CID 176602986
2-Methyl-2-[2-(2-methylprop-1-enoxy)ethyl]thiane 1-oxide
CID 176603004
4-[3-(Cyclohexylidenemethoxy)propyl]-4-ethylthiepane 1,1-dioxide
CID 176603007
2-[1-(Cyclohexylidenemethoxy)ethyl]thiane 1,1-dioxide
CID 176603009
2-(Cyclohexylidenemethoxymethyl)-2-ethylthiane 1,1-dioxide
CID 176603023
4-[3-(Cyclohexylidenemethoxy)propyl]-4-ethylthiane 1-oxide
CID 176603053
3-[3-(Cyclohexylidenemethoxy)propyl]-3-ethylthiolane 1,1-dioxide
CID 176603077

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methylthiane 1,1-dioxide?
The IUPAC name of 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methylthiane 1,1-dioxide (CID 176603573) is 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methylthiane 1,1-dioxide.
What is the SMILES notation for 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methylthiane 1,1-dioxide?
The canonical SMILES for 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methylthiane 1,1-dioxide is CC1(CCOC=C2CCCCC2)CCCCS1(=O)=O.
What is the InChIKey of 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methylthiane 1,1-dioxide?
The InChIKey is BUNSXDXFZPNMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3S/c1-15(9-5-6-12-19(15,16)17)10-11-18-13-14-7-3-2-4-8-14/h13H,2-12H2,1H3.
What are the key properties of 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methylthiane 1,1-dioxide?
2-[2-(cyclohexylidenemethoxy)ethyl]-2-methylthiane 1,1-dioxide has a molecular weight of 286.44 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methylthiane 1,1-dioxide is sourced from PubChem (CID 176603573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).