2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyl-1,4-dithiane 1,4-dioxide

C14H24O3S2 — CID 176603185

IUPAC2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyl-1,4-dithiane 1,4-dioxide
SMILESCC1(CCOC=C2CCCCC2)CS(=O)CCS1=O
InChIInChI=1S/C14H24O3S2/c1-14(12-18(15)9-10-19(14)16)7-8-17-11-13-5-3-2-4-6-13/h11H,2-10,12H2,1H3
InChIKeyDKNZCGVPVQITSA-UHFFFAOYSA-N
MW304.48 g/mol
LogP2.51
Rot. Bonds4

About 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyl-1,4-dithiane 1,4-dioxide

2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyl-1,4-dithiane 1,4-dioxide (PubChem CID 176603185) has the molecular formula C14H24O3S2 and a molecular weight of 304.48 g/mol. Its IUPAC name is 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyl-1,4-dithiane 1,4-dioxide.

Molecular Properties

Compound Name2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyl-1,4-dithiane 1,4-dioxide
PubChem CID176603185
Molecular FormulaC14H24O3S2
Molecular Weight304.48 g/mol
Exact Mass304.12
IUPAC Name2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyl-1,4-dithiane 1,4-dioxide
SMILESCC1(CCOC=C2CCCCC2)CS(=O)CCS1=O
InChIInChI=1S/C14H24O3S2/c1-14(12-18(15)9-10-19(14)16)7-8-17-11-13-5-3-2-4-6-13/h11H,2-10,12H2,1H3
InChIKeyDKNZCGVPVQITSA-UHFFFAOYSA-N
XLogP2.51
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 52.51
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 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyl-1,4-dithiane 1,4-dioxide?
The IUPAC name of 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyl-1,4-dithiane 1,4-dioxide (CID 176603185) is 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyl-1,4-dithiane 1,4-dioxide.
What is the SMILES notation for 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyl-1,4-dithiane 1,4-dioxide?
The canonical SMILES for 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyl-1,4-dithiane 1,4-dioxide is CC1(CCOC=C2CCCCC2)CS(=O)CCS1=O.
What is the InChIKey of 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyl-1,4-dithiane 1,4-dioxide?
The InChIKey is DKNZCGVPVQITSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3S2/c1-14(12-18(15)9-10-19(14)16)7-8-17-11-13-5-3-2-4-6-13/h11H,2-10,12H2,1H3.
What are the key properties of 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyl-1,4-dithiane 1,4-dioxide?
2-[2-(cyclohexylidenemethoxy)ethyl]-2-methyl-1,4-dithiane 1,4-dioxide has a molecular weight of 304.48 g/mol, XLogP of 2.51, 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-methyl-1,4-dithiane 1,4-dioxide is sourced from PubChem (CID 176603185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).