4-[3-(cyclohexylidenemethoxy)propyl]thiane 1-oxide

C15H26O2S — CID 176603867

IUPAC4-[3-(cyclohexylidenemethoxy)propyl]thiane 1-oxide
SMILESO=S1CCC(CCCOC=C2CCCCC2)CC1
InChIInChI=1S/C15H26O2S/c16-18-11-8-14(9-12-18)7-4-10-17-13-15-5-2-1-3-6-15/h13-14H,1-12H2
InChIKeyFDFAEGFWNCTUEE-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.79
Rot. Bonds5

About 4-[3-(cyclohexylidenemethoxy)propyl]thiane 1-oxide

4-[3-(cyclohexylidenemethoxy)propyl]thiane 1-oxide (PubChem CID 176603867) has the molecular formula C15H26O2S and a molecular weight of 270.44 g/mol. Its IUPAC name is 4-[3-(cyclohexylidenemethoxy)propyl]thiane 1-oxide.

Molecular Properties

Compound Name4-[3-(cyclohexylidenemethoxy)propyl]thiane 1-oxide
PubChem CID176603867
Molecular FormulaC15H26O2S
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Name4-[3-(cyclohexylidenemethoxy)propyl]thiane 1-oxide
SMILESO=S1CCC(CCCOC=C2CCCCC2)CC1
InChIInChI=1S/C15H26O2S/c16-18-11-8-14(9-12-18)7-4-10-17-13-15-5-2-1-3-6-15/h13-14H,1-12H2
InChIKeyFDFAEGFWNCTUEE-UHFFFAOYSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[3-(cyclopentylidenemethoxy)propyl]thiane 1-oxide
CID 176605028
3-[2-(cyclohexylidenemethoxy)ethyl]thiolane 1-oxide
CID 176603805
3-[3-(cyclopentylidenemethoxy)propyl]thiepane 1-oxide
CID 176604582
3-[3-(cyclohexylidenemethoxy)propyl]thiolane 1,1-dioxide
CID 176604095
2-[2-(cyclopentylidenemethoxy)ethyl]-1,4-dithiane 1,4-dioxide
CID 176603245
2-[3-(cyclopentylidenemethoxy)propyl]-1,4-dithiane 1,1,4,4-tetraoxide
CID 176604374
3-[2-(cyclopentylidenemethoxy)ethyl]thietane
CID 176605101
2-(cyclopentylidenemethoxymethyl)thiirane 1-oxide
CID 176603763
4-octylthiane 1-oxide
CID 3049462
2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiirane 1-oxide
CID 176605208
3-(cyclohexylidenemethoxymethyl)-3-methylthiane 1-oxide
CID 176603125
undecoxymethylidenecyclobutane
CID 165120762

Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyclohexylidenemethoxy)propyl]thiane 1-oxide?
The IUPAC name of 4-[3-(cyclohexylidenemethoxy)propyl]thiane 1-oxide (CID 176603867) is 4-[3-(cyclohexylidenemethoxy)propyl]thiane 1-oxide.
What is the SMILES notation for 4-[3-(cyclohexylidenemethoxy)propyl]thiane 1-oxide?
The canonical SMILES for 4-[3-(cyclohexylidenemethoxy)propyl]thiane 1-oxide is O=S1CCC(CCCOC=C2CCCCC2)CC1.
What is the InChIKey of 4-[3-(cyclohexylidenemethoxy)propyl]thiane 1-oxide?
The InChIKey is FDFAEGFWNCTUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2S/c16-18-11-8-14(9-12-18)7-4-10-17-13-15-5-2-1-3-6-15/h13-14H,1-12H2.
What are the key properties of 4-[3-(cyclohexylidenemethoxy)propyl]thiane 1-oxide?
4-[3-(cyclohexylidenemethoxy)propyl]thiane 1-oxide has a molecular weight of 270.44 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(cyclohexylidenemethoxy)propyl]thiane 1-oxide is sourced from PubChem (CID 176603867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).