bis(1-ethylcyclopentyl) sulfite

C14H26O3S — CID 87154508

IUPACbis(1-ethylcyclopentyl) sulfite
SMILESCCC1(OS(=O)OC2(CC)CCCC2)CCCC1
InChIInChI=1S/C14H26O3S/c1-3-13(9-5-6-10-13)16-18(15)17-14(4-2)11-7-8-12-14/h3-12H2,1-2H3
InChIKeyVCFVFNUVRSESHX-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.04
Rot. Bonds6

About bis(1-ethylcyclopentyl) sulfite

bis(1-ethylcyclopentyl) sulfite (PubChem CID 87154508) has the molecular formula C14H26O3S and a molecular weight of 274.43 g/mol. Its IUPAC name is bis(1-ethylcyclopentyl) sulfite.

Molecular Properties

Compound Namebis(1-ethylcyclopentyl) sulfite
PubChem CID87154508
Molecular FormulaC14H26O3S
Molecular Weight274.43 g/mol
Exact Mass274.16
IUPAC Namebis(1-ethylcyclopentyl) sulfite
SMILESCCC1(OS(=O)OC2(CC)CCCC2)CCCC1
InChIInChI=1S/C14H26O3S/c1-3-13(9-5-6-10-13)16-18(15)17-14(4-2)11-7-8-12-14/h3-12H2,1-2H3
InChIKeyVCFVFNUVRSESHX-UHFFFAOYSA-N
XLogP4.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-1-methoxycyclohexane
CID 21039859
(1-ethylcyclopentyl) methyl carbonate
CID 59539839
(1-ethylcyclohexyl) methyl carbonate
CID 59539840
1-(2,2-dimethylbutoxy)-1-ethylcyclopentane
CID 88993752
(1-ethylcyclopentyl) pentanoate
CID 123172403
(1-ethylcyclohexyl) fluoro hydrogen phosphate
CID 175012184
(1-ethylcyclopentyl) but-2-enoate
CID 150371556
(1-ethylcyclohexyl) cyclopropanecarboxylate
CID 147138971
bis(1-ethylcyclohexyl) cyclohexane-1,2-dicarboxylate
CID 67386872
bis(1-ethylcyclohexyl) benzene-1,4-dicarboxylate
CID 70018713
1-(2,2-dimethylpentoxy)-1-ethylcyclopentane
CID 144690615
(1-ethylcyclopentyl) 2-methylidenebut-3-enoate
CID 148827736

Frequently Asked Questions

What is the IUPAC name of bis(1-ethylcyclopentyl) sulfite?
The IUPAC name of bis(1-ethylcyclopentyl) sulfite (CID 87154508) is bis(1-ethylcyclopentyl) sulfite.
What is the SMILES notation for bis(1-ethylcyclopentyl) sulfite?
The canonical SMILES for bis(1-ethylcyclopentyl) sulfite is CCC1(OS(=O)OC2(CC)CCCC2)CCCC1.
What is the InChIKey of bis(1-ethylcyclopentyl) sulfite?
The InChIKey is VCFVFNUVRSESHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3S/c1-3-13(9-5-6-10-13)16-18(15)17-14(4-2)11-7-8-12-14/h3-12H2,1-2H3.
What are the key properties of bis(1-ethylcyclopentyl) sulfite?
bis(1-ethylcyclopentyl) sulfite has a molecular weight of 274.43 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-ethylcyclopentyl) sulfite is sourced from PubChem (CID 87154508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).