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

C14H24O3S — CID 176602963

IUPAC3-[2-(cyclohexylidenemethoxy)ethyl]-3-methylthiolane 1,1-dioxide
SMILESCC1(CCOC=C2CCCCC2)CCS(=O)(=O)C1
InChIInChI=1S/C14H24O3S/c1-14(8-10-18(15,16)12-14)7-9-17-11-13-5-3-2-4-6-13/h11H,2-10,12H2,1H3
InChIKeyLHBNXGPKVARQFC-UHFFFAOYSA-N
MW272.41 g/mol
LogP3.07
Rot. Bonds4

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

3-[2-(cyclohexylidenemethoxy)ethyl]-3-methylthiolane 1,1-dioxide (PubChem CID 176602963) has the molecular formula C14H24O3S and a molecular weight of 272.41 g/mol. Its IUPAC name is 3-[2-(cyclohexylidenemethoxy)ethyl]-3-methylthiolane 1,1-dioxide.

Molecular Properties

Compound Name3-[2-(cyclohexylidenemethoxy)ethyl]-3-methylthiolane 1,1-dioxide
PubChem CID176602963
Molecular FormulaC14H24O3S
Molecular Weight272.41 g/mol
Exact Mass272.14
IUPAC Name3-[2-(cyclohexylidenemethoxy)ethyl]-3-methylthiolane 1,1-dioxide
SMILESCC1(CCOC=C2CCCCC2)CCS(=O)(=O)C1
InChIInChI=1S/C14H24O3S/c1-14(8-10-18(15,16)12-14)7-9-17-11-13-5-3-2-4-6-13/h11H,2-10,12H2,1H3
InChIKeyLHBNXGPKVARQFC-UHFFFAOYSA-N
XLogP3.07
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 53.07
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-(Cyclohexylidenemethoxymethyl)-3-ethylthiolane 1,1-dioxide
CID 176602925
4-[3-(Cyclohexylidenemethoxy)propyl]-4-ethylthiane 1,1-dioxide
CID 176602974
4-(Cyclohexylidenemethoxymethyl)-4-methylthiane 1,1-dioxide
CID 176602986
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
4-[2-(Cyclopentylidenemethoxy)ethyl]-4-methylthiane 1,1-dioxide
CID 176603101
3-(Cyclohexylidenemethoxymethyl)-3-methylthiane 1-oxide
CID 176603125
3-[2-(Cyclopentylidenemethoxy)ethyl]-3-methylthiane 1-oxide
CID 176603126
3-[1-(Cyclohexylidenemethoxy)ethyl]thiolane 1-oxide
CID 176603178
3-(Cyclopentylidenemethoxymethyl)-3-ethylthiane 1-oxide
CID 176603214
3-[2-(Cyclohexylidenemethoxy)ethyl]-3-methylthiolane 1-oxide
CID 176603216

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclohexylidenemethoxy)ethyl]-3-methylthiolane 1,1-dioxide?
The IUPAC name of 3-[2-(cyclohexylidenemethoxy)ethyl]-3-methylthiolane 1,1-dioxide (CID 176602963) is 3-[2-(cyclohexylidenemethoxy)ethyl]-3-methylthiolane 1,1-dioxide.
What is the SMILES notation for 3-[2-(cyclohexylidenemethoxy)ethyl]-3-methylthiolane 1,1-dioxide?
The canonical SMILES for 3-[2-(cyclohexylidenemethoxy)ethyl]-3-methylthiolane 1,1-dioxide is CC1(CCOC=C2CCCCC2)CCS(=O)(=O)C1.
What is the InChIKey of 3-[2-(cyclohexylidenemethoxy)ethyl]-3-methylthiolane 1,1-dioxide?
The InChIKey is LHBNXGPKVARQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3S/c1-14(8-10-18(15,16)12-14)7-9-17-11-13-5-3-2-4-6-13/h11H,2-10,12H2,1H3.
What are the key properties of 3-[2-(cyclohexylidenemethoxy)ethyl]-3-methylthiolane 1,1-dioxide?
3-[2-(cyclohexylidenemethoxy)ethyl]-3-methylthiolane 1,1-dioxide has a molecular weight of 272.41 g/mol, XLogP of 3.07, 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-methylthiolane 1,1-dioxide is sourced from PubChem (CID 176602963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).