2-[5-[4-(oxolan-2-yl)pentylsulfanyl]pentan-2-yl]oxolane

C18H34O2S — CID 57300225

IUPAC2-[5-[4-(oxolan-2-yl)pentylsulfanyl]pentan-2-yl]oxolane
SMILESCC(CCCSCCCC(C)C1CCCO1)C1CCCO1
InChIInChI=1S/C18H34O2S/c1-15(17-9-3-11-19-17)7-5-13-21-14-6-8-16(2)18-10-4-12-20-18/h15-18H,3-14H2,1-2H3
InChIKeyZVRAZRVWJYMYRK-UHFFFAOYSA-N
MW314.53 g/mol
LogP4.91
Rot. Bonds10

About 2-[5-[4-(oxolan-2-yl)pentylsulfanyl]pentan-2-yl]oxolane

2-[5-[4-(oxolan-2-yl)pentylsulfanyl]pentan-2-yl]oxolane (PubChem CID 57300225) has the molecular formula C18H34O2S and a molecular weight of 314.53 g/mol. Its IUPAC name is 2-[5-[4-(oxolan-2-yl)pentylsulfanyl]pentan-2-yl]oxolane.

Molecular Properties

Compound Name2-[5-[4-(oxolan-2-yl)pentylsulfanyl]pentan-2-yl]oxolane
PubChem CID57300225
Molecular FormulaC18H34O2S
Molecular Weight314.53 g/mol
Exact Mass314.23
IUPAC Name2-[5-[4-(oxolan-2-yl)pentylsulfanyl]pentan-2-yl]oxolane
SMILESCC(CCCSCCCC(C)C1CCCO1)C1CCCO1
InChIInChI=1S/C18H34O2S/c1-15(17-9-3-11-19-17)7-5-13-21-14-6-8-16(2)18-10-4-12-20-18/h15-18H,3-14H2,1-2H3
InChIKeyZVRAZRVWJYMYRK-UHFFFAOYSA-N
XLogP4.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.53
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(oxolan-2-yl)pentylsulfanyl]pentan-2-yl]oxolane?
The IUPAC name of 2-[5-[4-(oxolan-2-yl)pentylsulfanyl]pentan-2-yl]oxolane (CID 57300225) is 2-[5-[4-(oxolan-2-yl)pentylsulfanyl]pentan-2-yl]oxolane.
What is the SMILES notation for 2-[5-[4-(oxolan-2-yl)pentylsulfanyl]pentan-2-yl]oxolane?
The canonical SMILES for 2-[5-[4-(oxolan-2-yl)pentylsulfanyl]pentan-2-yl]oxolane is CC(CCCSCCCC(C)C1CCCO1)C1CCCO1.
What is the InChIKey of 2-[5-[4-(oxolan-2-yl)pentylsulfanyl]pentan-2-yl]oxolane?
The InChIKey is ZVRAZRVWJYMYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2S/c1-15(17-9-3-11-19-17)7-5-13-21-14-6-8-16(2)18-10-4-12-20-18/h15-18H,3-14H2,1-2H3.
What are the key properties of 2-[5-[4-(oxolan-2-yl)pentylsulfanyl]pentan-2-yl]oxolane?
2-[5-[4-(oxolan-2-yl)pentylsulfanyl]pentan-2-yl]oxolane has a molecular weight of 314.53 g/mol, XLogP of 4.91, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(oxolan-2-yl)pentylsulfanyl]pentan-2-yl]oxolane is sourced from PubChem (CID 57300225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).