2-(cyclohexylidenemethoxymethyl)thiirane 1,1-dioxide

C10H16O3S — CID 176603265

IUPAC2-(cyclohexylidenemethoxymethyl)thiirane 1,1-dioxide
SMILESO=S1(=O)CC1COC=C1CCCCC1
InChIInChI=1S/C10H16O3S/c11-14(12)8-10(14)7-13-6-9-4-2-1-3-5-9/h6,10H,1-5,7-8H2
InChIKeyVBBZFVDUWJOSAW-UHFFFAOYSA-N
MW216.30 g/mol
LogP1.65
Rot. Bonds3

About 2-(cyclohexylidenemethoxymethyl)thiirane 1,1-dioxide

2-(cyclohexylidenemethoxymethyl)thiirane 1,1-dioxide (PubChem CID 176603265) has the molecular formula C10H16O3S and a molecular weight of 216.30 g/mol. Its IUPAC name is 2-(cyclohexylidenemethoxymethyl)thiirane 1,1-dioxide.

Molecular Properties

Compound Name2-(cyclohexylidenemethoxymethyl)thiirane 1,1-dioxide
PubChem CID176603265
Molecular FormulaC10H16O3S
Molecular Weight216.30 g/mol
Exact Mass216.08
IUPAC Name2-(cyclohexylidenemethoxymethyl)thiirane 1,1-dioxide
SMILESO=S1(=O)CC1COC=C1CCCCC1
InChIInChI=1S/C10H16O3S/c11-14(12)8-10(14)7-13-6-9-4-2-1-3-5-9/h6,10H,1-5,7-8H2
InChIKeyVBBZFVDUWJOSAW-UHFFFAOYSA-N
XLogP1.65
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(Cyclohexylidenemethoxymethyl)-2-methylthiirane
CID 176602948
2-[2-(Cyclopentylidenemethoxy)ethyl]thiirane 1,1-dioxide
CID 176603082
2-(Cyclopentylidenemethoxymethyl)thiirane 1,1-dioxide
CID 176603368
2-(Cyclohexylidenemethoxymethyl)-2-methylthiirane 1,1-dioxide
CID 176603476
2-[3-(Cyclohexylidenemethoxy)propyl]thiirane 1,1-dioxide
CID 176603496
3-(Cyclohexylidenemethoxymethyl)thietane 1,1-dioxide
CID 176603718
2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methylthiirane 1-oxide
CID 176603739
2-[1-(Cyclohexylidenemethoxy)ethyl]thiirane 1,1-dioxide
CID 176603784
2-(Cyclohexylidenemethoxymethyl)-2-ethylthiirane 1-oxide
CID 176603879
2-(Cyclopentylidenemethoxymethyl)-2-methylthiirane 1,1-dioxide
CID 176603990
3-(Cyclohexylidenemethoxymethyl)-3-methylthietane 1,1-dioxide
CID 176604159
2-[2-(Cyclohexylidenemethoxy)ethyl]thiirane 1,1-dioxide
CID 176604220

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylidenemethoxymethyl)thiirane 1,1-dioxide?
The IUPAC name of 2-(cyclohexylidenemethoxymethyl)thiirane 1,1-dioxide (CID 176603265) is 2-(cyclohexylidenemethoxymethyl)thiirane 1,1-dioxide.
What is the SMILES notation for 2-(cyclohexylidenemethoxymethyl)thiirane 1,1-dioxide?
The canonical SMILES for 2-(cyclohexylidenemethoxymethyl)thiirane 1,1-dioxide is O=S1(=O)CC1COC=C1CCCCC1.
What is the InChIKey of 2-(cyclohexylidenemethoxymethyl)thiirane 1,1-dioxide?
The InChIKey is VBBZFVDUWJOSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3S/c11-14(12)8-10(14)7-13-6-9-4-2-1-3-5-9/h6,10H,1-5,7-8H2.
What are the key properties of 2-(cyclohexylidenemethoxymethyl)thiirane 1,1-dioxide?
2-(cyclohexylidenemethoxymethyl)thiirane 1,1-dioxide has a molecular weight of 216.30 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylidenemethoxymethyl)thiirane 1,1-dioxide is sourced from PubChem (CID 176603265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).