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

C14H24O3S — CID 176603009

IUPAC2-[1-(cyclohexylidenemethoxy)ethyl]thiane 1,1-dioxide
SMILESCC(OC=C1CCCCC1)C1CCCCS1(=O)=O
InChIInChI=1S/C14H24O3S/c1-12(14-9-5-6-10-18(14,15)16)17-11-13-7-3-2-4-8-13/h11-12,14H,2-10H2,1H3
InChIKeyAWBZFNUKAPGCPB-UHFFFAOYSA-N
MW272.41 g/mol
LogP3.21
Rot. Bonds3

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

2-[1-(cyclohexylidenemethoxy)ethyl]thiane 1,1-dioxide (PubChem CID 176603009) has the molecular formula C14H24O3S and a molecular weight of 272.41 g/mol. Its IUPAC name is 2-[1-(cyclohexylidenemethoxy)ethyl]thiane 1,1-dioxide.

Molecular Properties

Compound Name2-[1-(cyclohexylidenemethoxy)ethyl]thiane 1,1-dioxide
PubChem CID176603009
Molecular FormulaC14H24O3S
Molecular Weight272.41 g/mol
Exact Mass272.14
IUPAC Name2-[1-(cyclohexylidenemethoxy)ethyl]thiane 1,1-dioxide
SMILESCC(OC=C1CCCCC1)C1CCCCS1(=O)=O
InChIInChI=1S/C14H24O3S/c1-12(14-9-5-6-10-18(14,15)16)17-11-13-7-3-2-4-8-13/h11-12,14H,2-10H2,1H3
InChIKeyAWBZFNUKAPGCPB-UHFFFAOYSA-N
XLogP3.21
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohexylidenemethoxy)ethyl]thiane 1,1-dioxide?
The IUPAC name of 2-[1-(cyclohexylidenemethoxy)ethyl]thiane 1,1-dioxide (CID 176603009) is 2-[1-(cyclohexylidenemethoxy)ethyl]thiane 1,1-dioxide.
What is the SMILES notation for 2-[1-(cyclohexylidenemethoxy)ethyl]thiane 1,1-dioxide?
The canonical SMILES for 2-[1-(cyclohexylidenemethoxy)ethyl]thiane 1,1-dioxide is CC(OC=C1CCCCC1)C1CCCCS1(=O)=O.
What is the InChIKey of 2-[1-(cyclohexylidenemethoxy)ethyl]thiane 1,1-dioxide?
The InChIKey is AWBZFNUKAPGCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3S/c1-12(14-9-5-6-10-18(14,15)16)17-11-13-7-3-2-4-8-13/h11-12,14H,2-10H2,1H3.
What are the key properties of 2-[1-(cyclohexylidenemethoxy)ethyl]thiane 1,1-dioxide?
2-[1-(cyclohexylidenemethoxy)ethyl]thiane 1,1-dioxide has a molecular weight of 272.41 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexylidenemethoxy)ethyl]thiane 1,1-dioxide is sourced from PubChem (CID 176603009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).