2-(cyclohexylidenemethoxymethyl)-2-ethylthiane

C15H26OS — CID 176604392

IUPAC2-(cyclohexylidenemethoxymethyl)-2-ethylthiane
SMILESCCC1(COC=C2CCCCC2)CCCCS1
InChIInChI=1S/C15H26OS/c1-2-15(10-6-7-11-17-15)13-16-12-14-8-4-3-5-9-14/h12H,2-11,13H2,1H3
InChIKeySRWUZJQEHGYUHA-UHFFFAOYSA-N
MW254.44 g/mol
LogP4.92
Rot. Bonds4

About 2-(cyclohexylidenemethoxymethyl)-2-ethylthiane

2-(cyclohexylidenemethoxymethyl)-2-ethylthiane (PubChem CID 176604392) has the molecular formula C15H26OS and a molecular weight of 254.44 g/mol. Its IUPAC name is 2-(cyclohexylidenemethoxymethyl)-2-ethylthiane.

Molecular Properties

Compound Name2-(cyclohexylidenemethoxymethyl)-2-ethylthiane
PubChem CID176604392
Molecular FormulaC15H26OS
Molecular Weight254.44 g/mol
Exact Mass254.17
IUPAC Name2-(cyclohexylidenemethoxymethyl)-2-ethylthiane
SMILESCCC1(COC=C2CCCCC2)CCCCS1
InChIInChI=1S/C15H26OS/c1-2-15(10-6-7-11-17-15)13-16-12-14-8-4-3-5-9-14/h12H,2-11,13H2,1H3
InChIKeySRWUZJQEHGYUHA-UHFFFAOYSA-N
XLogP4.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(cyclohexylidenemethoxymethyl)-2-ethylthiane?
The IUPAC name of 2-(cyclohexylidenemethoxymethyl)-2-ethylthiane (CID 176604392) is 2-(cyclohexylidenemethoxymethyl)-2-ethylthiane.
What is the SMILES notation for 2-(cyclohexylidenemethoxymethyl)-2-ethylthiane?
The canonical SMILES for 2-(cyclohexylidenemethoxymethyl)-2-ethylthiane is CCC1(COC=C2CCCCC2)CCCCS1.
What is the InChIKey of 2-(cyclohexylidenemethoxymethyl)-2-ethylthiane?
The InChIKey is SRWUZJQEHGYUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26OS/c1-2-15(10-6-7-11-17-15)13-16-12-14-8-4-3-5-9-14/h12H,2-11,13H2,1H3.
What are the key properties of 2-(cyclohexylidenemethoxymethyl)-2-ethylthiane?
2-(cyclohexylidenemethoxymethyl)-2-ethylthiane has a molecular weight of 254.44 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylidenemethoxymethyl)-2-ethylthiane is sourced from PubChem (CID 176604392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).