2-(cyclohexylidenemethoxymethyl)-2-methylthiane

C14H24OS — CID 176605246

IUPAC2-(cyclohexylidenemethoxymethyl)-2-methylthiane
SMILESCC1(COC=C2CCCCC2)CCCCS1
InChIInChI=1S/C14H24OS/c1-14(9-5-6-10-16-14)12-15-11-13-7-3-2-4-8-13/h11H,2-10,12H2,1H3
InChIKeyKZHCBRGUKPFLDZ-UHFFFAOYSA-N
MW240.41 g/mol
LogP4.53
Rot. Bonds3

About 2-(cyclohexylidenemethoxymethyl)-2-methylthiane

2-(cyclohexylidenemethoxymethyl)-2-methylthiane (PubChem CID 176605246) has the molecular formula C14H24OS and a molecular weight of 240.41 g/mol. Its IUPAC name is 2-(cyclohexylidenemethoxymethyl)-2-methylthiane.

Molecular Properties

Compound Name2-(cyclohexylidenemethoxymethyl)-2-methylthiane
PubChem CID176605246
Molecular FormulaC14H24OS
Molecular Weight240.41 g/mol
Exact Mass240.15
IUPAC Name2-(cyclohexylidenemethoxymethyl)-2-methylthiane
SMILESCC1(COC=C2CCCCC2)CCCCS1
InChIInChI=1S/C14H24OS/c1-14(9-5-6-10-16-14)12-15-11-13-7-3-2-4-8-13/h11H,2-10,12H2,1H3
InChIKeyKZHCBRGUKPFLDZ-UHFFFAOYSA-N
XLogP4.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.41
LogP ≤ 54.53
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-(cyclopentylidenemethoxy)ethyl]-2-methylthiolane
CID 176603352
3-(cyclopentylidenemethoxymethyl)-3-methylthietane
CID 176603708
2-(cyclopentylidenemethoxymethyl)-2-methylthiocane 1,1-dioxide
CID 176604994
2-(cyclopentylidenemethoxymethyl)-2-methylthiocane 1-oxide
CID 176604961
4-(cyclopentylidenemethoxymethyl)-4-methylthiane 1,1-dioxide
CID 176603248
2-(cyclopentylidenemethoxymethyl)-2-ethyloxepane
CID 176602930
2-(cyclohexylidenemethoxymethyl)-2-methylthiolane 1-oxide
CID 176604351
3-(cyclohexylidenemethoxymethyl)-3-methylthiane 1-oxide
CID 176603125
4-(cyclopentylidenemethoxymethyl)-4-methylthiane 1-oxide
CID 176605172
(2R)-2-ethyl-2-methylthiane
CID 170599361
(2-methylthiolan-2-yl)methyl methanesulfonate
CID 131209234
2-(cyclopentylidenemethoxymethyl)-2-ethylthiane 1,1-dioxide
CID 176603682

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylidenemethoxymethyl)-2-methylthiane?
The IUPAC name of 2-(cyclohexylidenemethoxymethyl)-2-methylthiane (CID 176605246) is 2-(cyclohexylidenemethoxymethyl)-2-methylthiane.
What is the SMILES notation for 2-(cyclohexylidenemethoxymethyl)-2-methylthiane?
The canonical SMILES for 2-(cyclohexylidenemethoxymethyl)-2-methylthiane is CC1(COC=C2CCCCC2)CCCCS1.
What is the InChIKey of 2-(cyclohexylidenemethoxymethyl)-2-methylthiane?
The InChIKey is KZHCBRGUKPFLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24OS/c1-14(9-5-6-10-16-14)12-15-11-13-7-3-2-4-8-13/h11H,2-10,12H2,1H3.
What are the key properties of 2-(cyclohexylidenemethoxymethyl)-2-methylthiane?
2-(cyclohexylidenemethoxymethyl)-2-methylthiane has a molecular weight of 240.41 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylidenemethoxymethyl)-2-methylthiane is sourced from PubChem (CID 176605246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).