3-[2-(cyclohexylidenemethoxy)ethyl]-3-methylthiane 1,1-dioxide

C15H26O3S — CID 176605002

IUPAC3-[2-(cyclohexylidenemethoxy)ethyl]-3-methylthiane 1,1-dioxide
SMILESCC1(CCOC=C2CCCCC2)CCCS(=O)(=O)C1
InChIInChI=1S/C15H26O3S/c1-15(8-5-11-19(16,17)13-15)9-10-18-12-14-6-3-2-4-7-14/h12H,2-11,13H2,1H3
InChIKeyXQTVNJFBUZSCSZ-UHFFFAOYSA-N
MW286.44 g/mol
LogP3.46
Rot. Bonds4

About 3-[2-(cyclohexylidenemethoxy)ethyl]-3-methylthiane 1,1-dioxide

3-[2-(cyclohexylidenemethoxy)ethyl]-3-methylthiane 1,1-dioxide (PubChem CID 176605002) has the molecular formula C15H26O3S and a molecular weight of 286.44 g/mol. Its IUPAC name is 3-[2-(cyclohexylidenemethoxy)ethyl]-3-methylthiane 1,1-dioxide.

Molecular Properties

Compound Name3-[2-(cyclohexylidenemethoxy)ethyl]-3-methylthiane 1,1-dioxide
PubChem CID176605002
Molecular FormulaC15H26O3S
Molecular Weight286.44 g/mol
Exact Mass286.16
IUPAC Name3-[2-(cyclohexylidenemethoxy)ethyl]-3-methylthiane 1,1-dioxide
SMILESCC1(CCOC=C2CCCCC2)CCCS(=O)(=O)C1
InChIInChI=1S/C15H26O3S/c1-15(8-5-11-19(16,17)13-15)9-10-18-12-14-6-3-2-4-7-14/h12H,2-11,13H2,1H3
InChIKeyXQTVNJFBUZSCSZ-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
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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Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclohexylidenemethoxy)ethyl]-3-methylthiane 1,1-dioxide?
The IUPAC name of 3-[2-(cyclohexylidenemethoxy)ethyl]-3-methylthiane 1,1-dioxide (CID 176605002) is 3-[2-(cyclohexylidenemethoxy)ethyl]-3-methylthiane 1,1-dioxide.
What is the SMILES notation for 3-[2-(cyclohexylidenemethoxy)ethyl]-3-methylthiane 1,1-dioxide?
The canonical SMILES for 3-[2-(cyclohexylidenemethoxy)ethyl]-3-methylthiane 1,1-dioxide is CC1(CCOC=C2CCCCC2)CCCS(=O)(=O)C1.
What is the InChIKey of 3-[2-(cyclohexylidenemethoxy)ethyl]-3-methylthiane 1,1-dioxide?
The InChIKey is XQTVNJFBUZSCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3S/c1-15(8-5-11-19(16,17)13-15)9-10-18-12-14-6-3-2-4-7-14/h12H,2-11,13H2,1H3.
What are the key properties of 3-[2-(cyclohexylidenemethoxy)ethyl]-3-methylthiane 1,1-dioxide?
3-[2-(cyclohexylidenemethoxy)ethyl]-3-methylthiane 1,1-dioxide has a molecular weight of 286.44 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclohexylidenemethoxy)ethyl]-3-methylthiane 1,1-dioxide is sourced from PubChem (CID 176605002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).