cyclopentane;1-ethoxy-1-methylsulfanylcyclopentane

C13H26OS — CID 67853175

IUPACcyclopentane;1-ethoxy-1-methylsulfanylcyclopentane
SMILESC1CCCC1.CCOC1(SC)CCCC1
InChIInChI=1S/C8H16OS.C5H10/c1-3-9-8(10-2)6-4-5-7-8;1-2-4-5-3-1/h3-7H2,1-2H3;1-5H2
InChIKeyTUDBXDNZQNNPGD-UHFFFAOYSA-N
MW230.42 g/mol
LogP4.61
Rot. Bonds3

About cyclopentane;1-ethoxy-1-methylsulfanylcyclopentane

cyclopentane;1-ethoxy-1-methylsulfanylcyclopentane (PubChem CID 67853175) has the molecular formula C13H26OS and a molecular weight of 230.42 g/mol. Its IUPAC name is cyclopentane;1-ethoxy-1-methylsulfanylcyclopentane.

Molecular Properties

Compound Namecyclopentane;1-ethoxy-1-methylsulfanylcyclopentane
PubChem CID67853175
Molecular FormulaC13H26OS
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Namecyclopentane;1-ethoxy-1-methylsulfanylcyclopentane
SMILESC1CCCC1.CCOC1(SC)CCCC1
InChIInChI=1S/C8H16OS.C5H10/c1-3-9-8(10-2)6-4-5-7-8;1-2-4-5-3-1/h3-7H2,1-2H3;1-5H2
InChIKeyTUDBXDNZQNNPGD-UHFFFAOYSA-N
XLogP4.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopentane;1-ethoxy-1-methylsulfanylcyclopentane?
The IUPAC name of cyclopentane;1-ethoxy-1-methylsulfanylcyclopentane (CID 67853175) is cyclopentane;1-ethoxy-1-methylsulfanylcyclopentane.
What is the SMILES notation for cyclopentane;1-ethoxy-1-methylsulfanylcyclopentane?
The canonical SMILES for cyclopentane;1-ethoxy-1-methylsulfanylcyclopentane is C1CCCC1.CCOC1(SC)CCCC1.
What is the InChIKey of cyclopentane;1-ethoxy-1-methylsulfanylcyclopentane?
The InChIKey is TUDBXDNZQNNPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS.C5H10/c1-3-9-8(10-2)6-4-5-7-8;1-2-4-5-3-1/h3-7H2,1-2H3;1-5H2.
What are the key properties of cyclopentane;1-ethoxy-1-methylsulfanylcyclopentane?
cyclopentane;1-ethoxy-1-methylsulfanylcyclopentane has a molecular weight of 230.42 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;1-ethoxy-1-methylsulfanylcyclopentane is sourced from PubChem (CID 67853175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).