2-(cyclopentylidenemethoxymethyl)-2-methylthiocane 1-oxide

C15H26O2S — CID 176604961

IUPAC2-(cyclopentylidenemethoxymethyl)-2-methylthiocane 1-oxide
SMILESCC1(COC=C2CCCC2)CCCCCCS1=O
InChIInChI=1S/C15H26O2S/c1-15(10-6-2-3-7-11-18(15)16)13-17-12-14-8-4-5-9-14/h12H,2-11,13H2,1H3
InChIKeyNZVIZDHMHFJFCE-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.93
Rot. Bonds3

About 2-(cyclopentylidenemethoxymethyl)-2-methylthiocane 1-oxide

2-(cyclopentylidenemethoxymethyl)-2-methylthiocane 1-oxide (PubChem CID 176604961) has the molecular formula C15H26O2S and a molecular weight of 270.44 g/mol. Its IUPAC name is 2-(cyclopentylidenemethoxymethyl)-2-methylthiocane 1-oxide.

Molecular Properties

Compound Name2-(cyclopentylidenemethoxymethyl)-2-methylthiocane 1-oxide
PubChem CID176604961
Molecular FormulaC15H26O2S
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Name2-(cyclopentylidenemethoxymethyl)-2-methylthiocane 1-oxide
SMILESCC1(COC=C2CCCC2)CCCCCCS1=O
InChIInChI=1S/C15H26O2S/c1-15(10-6-2-3-7-11-18(15)16)13-17-12-14-8-4-5-9-14/h12H,2-11,13H2,1H3
InChIKeyNZVIZDHMHFJFCE-UHFFFAOYSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.93
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-(cyclohexylidenemethoxymethyl)-2-methylthiolane 1-oxide
CID 176604351
2-(cyclopentylidenemethoxymethyl)-2-methyl-1,4-dithiane 1,4-dioxide
CID 176604236
4-(cyclopentylidenemethoxymethyl)-4-methylthiane 1-oxide
CID 176605172
3-(cyclohexylidenemethoxymethyl)-3-methylthiane 1-oxide
CID 176603125
2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiirane 1-oxide
CID 176605208
2-(cyclopentylidenemethoxymethyl)-2-methylthiocane 1,1-dioxide
CID 176604994
4-(cyclopentylidenemethoxymethyl)-4-methylthiane 1,1-dioxide
CID 176603248
2-(cyclohexylidenemethoxymethyl)-2-methylthiane
CID 176605246
2-(cyclopentylidenemethoxymethyl)-2-ethyloxepane
CID 176602930
3-(cyclopentylidenemethoxymethyl)-3-methylthietane
CID 176603708
2-(cyclopentylidenemethoxymethyl)-2-ethylthiane 1,1-dioxide
CID 176603682
2-(cyclohexylidenemethoxymethyl)-2-ethyl-1,4-dithiane 1,1,4,4-tetraoxide
CID 176604727

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylidenemethoxymethyl)-2-methylthiocane 1-oxide?
The IUPAC name of 2-(cyclopentylidenemethoxymethyl)-2-methylthiocane 1-oxide (CID 176604961) is 2-(cyclopentylidenemethoxymethyl)-2-methylthiocane 1-oxide.
What is the SMILES notation for 2-(cyclopentylidenemethoxymethyl)-2-methylthiocane 1-oxide?
The canonical SMILES for 2-(cyclopentylidenemethoxymethyl)-2-methylthiocane 1-oxide is CC1(COC=C2CCCC2)CCCCCCS1=O.
What is the InChIKey of 2-(cyclopentylidenemethoxymethyl)-2-methylthiocane 1-oxide?
The InChIKey is NZVIZDHMHFJFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2S/c1-15(10-6-2-3-7-11-18(15)16)13-17-12-14-8-4-5-9-14/h12H,2-11,13H2,1H3.
What are the key properties of 2-(cyclopentylidenemethoxymethyl)-2-methylthiocane 1-oxide?
2-(cyclopentylidenemethoxymethyl)-2-methylthiocane 1-oxide has a molecular weight of 270.44 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylidenemethoxymethyl)-2-methylthiocane 1-oxide is sourced from PubChem (CID 176604961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).