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

C18H34O2S — CID 54448834

IUPAC2-[4-[5-(oxolan-2-yl)pentan-2-ylsulfanyl]pentyl]oxolane
SMILESCC(CCCC1CCCO1)SC(C)CCCC1CCCO1
InChIInChI=1S/C18H34O2S/c1-15(7-3-9-17-11-5-13-19-17)21-16(2)8-4-10-18-12-6-14-20-18/h15-18H,3-14H2,1-2H3
InChIKeyWTMCOLDAIRFWEO-UHFFFAOYSA-N
MW314.54 g/mol
LogP5.20
Rot. Bonds10

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

2-[4-[5-(oxolan-2-yl)pentan-2-ylsulfanyl]pentyl]oxolane (PubChem CID 54448834) has the molecular formula C18H34O2S and a molecular weight of 314.54 g/mol. Its IUPAC name is 2-[4-[5-(oxolan-2-yl)pentan-2-ylsulfanyl]pentyl]oxolane.

Molecular Properties

Compound Name2-[4-[5-(oxolan-2-yl)pentan-2-ylsulfanyl]pentyl]oxolane
PubChem CID54448834
Molecular FormulaC18H34O2S
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Name2-[4-[5-(oxolan-2-yl)pentan-2-ylsulfanyl]pentyl]oxolane
SMILESCC(CCCC1CCCO1)SC(C)CCCC1CCCO1
InChIInChI=1S/C18H34O2S/c1-15(7-3-9-17-11-5-13-19-17)21-16(2)8-4-10-18-12-6-14-20-18/h15-18H,3-14H2,1-2H3
InChIKeyWTMCOLDAIRFWEO-UHFFFAOYSA-N
XLogP5.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.54
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-4-methylpentyl)oxolane
CID 65165310
3-methyl-6-(oxolan-2-yl)hexan-2-ol
CID 65166050
2-(5-chloro-4-methylheptyl)oxolane
CID 65165898
3-methyl-6-(oxolan-2-yl)hexan-1-amine
CID 81013220
4-methyl-7-(oxolan-2-yl)heptan-2-amine
CID 65164978
5-(oxolan-2-yl)-1-propan-2-ylsulfanylpentan-2-ol
CID 65167230
3-[3-(oxolan-2-yl)propylsulfanyl]butan-1-amine
CID 66228404
1-(oxolan-2-yl)octane-4,5-diol
CID 103454832
2-(6-bromo-7-methyloctyl)oxolane
CID 65165254
2-methoxy-6-(oxolan-2-yl)hexan-3-amine
CID 79617762
2,3-dimethyl-6-(oxolan-2-yl)hexanoic acid
CID 81007927
N,5,6-trimethyl-1-(oxolan-2-yl)heptan-4-amine
CID 104993166

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(oxolan-2-yl)pentan-2-ylsulfanyl]pentyl]oxolane?
The IUPAC name of 2-[4-[5-(oxolan-2-yl)pentan-2-ylsulfanyl]pentyl]oxolane (CID 54448834) is 2-[4-[5-(oxolan-2-yl)pentan-2-ylsulfanyl]pentyl]oxolane.
What is the SMILES notation for 2-[4-[5-(oxolan-2-yl)pentan-2-ylsulfanyl]pentyl]oxolane?
The canonical SMILES for 2-[4-[5-(oxolan-2-yl)pentan-2-ylsulfanyl]pentyl]oxolane is CC(CCCC1CCCO1)SC(C)CCCC1CCCO1.
What is the InChIKey of 2-[4-[5-(oxolan-2-yl)pentan-2-ylsulfanyl]pentyl]oxolane?
The InChIKey is WTMCOLDAIRFWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2S/c1-15(7-3-9-17-11-5-13-19-17)21-16(2)8-4-10-18-12-6-14-20-18/h15-18H,3-14H2,1-2H3.
What are the key properties of 2-[4-[5-(oxolan-2-yl)pentan-2-ylsulfanyl]pentyl]oxolane?
2-[4-[5-(oxolan-2-yl)pentan-2-ylsulfanyl]pentyl]oxolane has a molecular weight of 314.54 g/mol, XLogP of 5.20, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(oxolan-2-yl)pentan-2-ylsulfanyl]pentyl]oxolane is sourced from PubChem (CID 54448834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).