2-(cyclopentylidenemethoxymethyl)-2-methyl-1,4-dithiane

C12H20OS2 — CID 176602957

IUPAC2-(cyclopentylidenemethoxymethyl)-2-methyl-1,4-dithiane
SMILESCC1(COC=C2CCCC2)CSCCS1
InChIInChI=1S/C12H20OS2/c1-12(10-14-6-7-15-12)9-13-8-11-4-2-3-5-11/h8H,2-7,9-10H2,1H3
InChIKeyROJOJEZJQUUTLH-UHFFFAOYSA-N
MW244.42 g/mol
LogP3.70
Rot. Bonds3

About 2-(cyclopentylidenemethoxymethyl)-2-methyl-1,4-dithiane

2-(cyclopentylidenemethoxymethyl)-2-methyl-1,4-dithiane (PubChem CID 176602957) has the molecular formula C12H20OS2 and a molecular weight of 244.42 g/mol. Its IUPAC name is 2-(cyclopentylidenemethoxymethyl)-2-methyl-1,4-dithiane.

Molecular Properties

Compound Name2-(cyclopentylidenemethoxymethyl)-2-methyl-1,4-dithiane
PubChem CID176602957
Molecular FormulaC12H20OS2
Molecular Weight244.42 g/mol
Exact Mass244.10
IUPAC Name2-(cyclopentylidenemethoxymethyl)-2-methyl-1,4-dithiane
SMILESCC1(COC=C2CCCC2)CSCCS1
InChIInChI=1S/C12H20OS2/c1-12(10-14-6-7-15-12)9-13-8-11-4-2-3-5-11/h8H,2-7,9-10H2,1H3
InChIKeyROJOJEZJQUUTLH-UHFFFAOYSA-N
XLogP3.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

4-(Methoxymethylene)tetrahydro-2h-thiopyran
CID 20699606
(4Z)-4-(methoxymethylidene)-2-methylthiane
CID 90036675
4-(Methoxymethylidene)-2-methylthiane
CID 90036676
Ethane;methoxyethane;4-methylidenethiane
CID 143832071
(E)-2-methyl-1-(2-pentylsulfanylethoxy)hex-1-ene
CID 146322694
2-[2-(Cyclohexylidenemethoxy)ethyl]-1,4-dithiane
CID 176603107
2-[2-(Cyclopentylidenemethoxy)ethyl]-2-methyl-1,4-dithiane 1,4-dioxide
CID 176603226
2-[2-(Cyclopentylidenemethoxy)ethyl]-1,4-dithiane 1,4-dioxide
CID 176603245
2-Methyl-2-(2-methylprop-1-enoxymethyl)-1,4-dithiane
CID 176603286
4-(Cyclopentylidenemethoxymethyl)thiane
CID 176603291
2-(2-Methylprop-1-enoxymethyl)-1,4-dithiane
CID 176603370
2-(Cyclopentylidenemethoxymethyl)-2-ethyl-1,4-dithiane
CID 176603376

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylidenemethoxymethyl)-2-methyl-1,4-dithiane?
The IUPAC name of 2-(cyclopentylidenemethoxymethyl)-2-methyl-1,4-dithiane (CID 176602957) is 2-(cyclopentylidenemethoxymethyl)-2-methyl-1,4-dithiane.
What is the SMILES notation for 2-(cyclopentylidenemethoxymethyl)-2-methyl-1,4-dithiane?
The canonical SMILES for 2-(cyclopentylidenemethoxymethyl)-2-methyl-1,4-dithiane is CC1(COC=C2CCCC2)CSCCS1.
What is the InChIKey of 2-(cyclopentylidenemethoxymethyl)-2-methyl-1,4-dithiane?
The InChIKey is ROJOJEZJQUUTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20OS2/c1-12(10-14-6-7-15-12)9-13-8-11-4-2-3-5-11/h8H,2-7,9-10H2,1H3.
What are the key properties of 2-(cyclopentylidenemethoxymethyl)-2-methyl-1,4-dithiane?
2-(cyclopentylidenemethoxymethyl)-2-methyl-1,4-dithiane has a molecular weight of 244.42 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylidenemethoxymethyl)-2-methyl-1,4-dithiane is sourced from PubChem (CID 176602957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).