2-(cyclohexylidenemethoxymethyl)-2-methylthiepane

C15H26OS — CID 176603574

IUPAC2-(cyclohexylidenemethoxymethyl)-2-methylthiepane
SMILESCC1(COC=C2CCCCC2)CCCCCS1
InChIInChI=1S/C15H26OS/c1-15(10-6-3-7-11-17-15)13-16-12-14-8-4-2-5-9-14/h12H,2-11,13H2,1H3
InChIKeyKXVMIWZJXJNAHY-UHFFFAOYSA-N
MW254.44 g/mol
LogP4.92
Rot. Bonds3

About 2-(cyclohexylidenemethoxymethyl)-2-methylthiepane

2-(cyclohexylidenemethoxymethyl)-2-methylthiepane (PubChem CID 176603574) has the molecular formula C15H26OS and a molecular weight of 254.44 g/mol. Its IUPAC name is 2-(cyclohexylidenemethoxymethyl)-2-methylthiepane.

Molecular Properties

Compound Name2-(cyclohexylidenemethoxymethyl)-2-methylthiepane
PubChem CID176603574
Molecular FormulaC15H26OS
Molecular Weight254.44 g/mol
Exact Mass254.17
IUPAC Name2-(cyclohexylidenemethoxymethyl)-2-methylthiepane
SMILESCC1(COC=C2CCCCC2)CCCCCS1
InChIInChI=1S/C15H26OS/c1-15(10-6-3-7-11-17-15)13-16-12-14-8-4-2-5-9-14/h12H,2-11,13H2,1H3
InChIKeyKXVMIWZJXJNAHY-UHFFFAOYSA-N
XLogP4.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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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Related Compounds

2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methylthiolane
CID 176602956
2-(Cyclohexylidenemethoxymethyl)-2-ethylthiepane 1-oxide
CID 176603140
2-[3-(Cyclohexylidenemethoxy)propyl]-2-ethylthiocane
CID 176603164
2-(Cyclohexylidenemethoxymethyl)-2-ethylthiocane
CID 176603205
3-[2-(Cyclopentylidenemethoxy)ethyl]thiepane
CID 176603342
2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methylthiepane 1-oxide
CID 176603385
2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methylthiepane
CID 176603428
2-(Cyclohexylidenemethoxymethyl)-2-methylthiocane
CID 176603540
2-Ethyl-2-(2-methylprop-1-enoxymethyl)thiepane
CID 176603542
2-[3-(Cyclohexylidenemethoxy)propyl]-2-ethylthiane
CID 176603603
3-[3-(Cyclohexylidenemethoxy)propyl]thiane
CID 176603726
2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methylthiane
CID 176603838

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylidenemethoxymethyl)-2-methylthiepane?
The IUPAC name of 2-(cyclohexylidenemethoxymethyl)-2-methylthiepane (CID 176603574) is 2-(cyclohexylidenemethoxymethyl)-2-methylthiepane.
What is the SMILES notation for 2-(cyclohexylidenemethoxymethyl)-2-methylthiepane?
The canonical SMILES for 2-(cyclohexylidenemethoxymethyl)-2-methylthiepane is CC1(COC=C2CCCCC2)CCCCCS1.
What is the InChIKey of 2-(cyclohexylidenemethoxymethyl)-2-methylthiepane?
The InChIKey is KXVMIWZJXJNAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26OS/c1-15(10-6-3-7-11-17-15)13-16-12-14-8-4-2-5-9-14/h12H,2-11,13H2,1H3.
What are the key properties of 2-(cyclohexylidenemethoxymethyl)-2-methylthiepane?
2-(cyclohexylidenemethoxymethyl)-2-methylthiepane has a molecular weight of 254.44 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylidenemethoxymethyl)-2-methylthiepane is sourced from PubChem (CID 176603574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).