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

C17H32O2S — CID 57157104

IUPAC2-[5-[4-(oxolan-2-yl)butylsulfanyl]pentyl]oxolane
SMILESC(CCSCCCCC1CCCO1)CCC1CCCO1
InChIInChI=1S/C17H32O2S/c1(2-8-16-10-6-12-18-16)4-14-20-15-5-3-9-17-11-7-13-19-17/h16-17H,1-15H2
InChIKeyZFPLXWQLCLMFEA-UHFFFAOYSA-N
MW300.51 g/mol
LogP4.81
Rot. Bonds11

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

2-[5-[4-(oxolan-2-yl)butylsulfanyl]pentyl]oxolane (PubChem CID 57157104) has the molecular formula C17H32O2S and a molecular weight of 300.51 g/mol. Its IUPAC name is 2-[5-[4-(oxolan-2-yl)butylsulfanyl]pentyl]oxolane.

Molecular Properties

Compound Name2-[5-[4-(oxolan-2-yl)butylsulfanyl]pentyl]oxolane
PubChem CID57157104
Molecular FormulaC17H32O2S
Molecular Weight300.51 g/mol
Exact Mass300.21
IUPAC Name2-[5-[4-(oxolan-2-yl)butylsulfanyl]pentyl]oxolane
SMILESC(CCSCCCCC1CCCO1)CCC1CCCO1
InChIInChI=1S/C17H32O2S/c1(2-8-16-10-6-12-18-16)4-14-20-15-5-3-9-17-11-7-13-19-17/h16-17H,1-15H2
InChIKeyZFPLXWQLCLMFEA-UHFFFAOYSA-N
XLogP4.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.51
LogP ≤ 54.81
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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Related Compounds

2-(10-ethylsulfanyldecyl)oxane
CID 23326782
2-(14-hexylsulfanyltetradecyl)oxane
CID 23326746
2-[14-(3-methylbutylsulfanyl)tetradecyl]oxane
CID 23326719
3-[2-(oxolan-2-yl)ethylsulfanyl]propan-1-amine
CID 66218560
2-tetradecyloxolane
CID 10683364
(2S)-2-(6-chlorohexyl)oxolane
CID 155932056
5-(oxolan-2-ylmethylsulfanyl)pentan-1-amine
CID 106495008
10-(oxolan-2-ylmethylsulfanyl)decane-1-thiol
CID 177221877
2-[3-(oxiran-2-yl)propyl]oxolane
CID 115410470
2-[3-(oxan-2-yl)propyl]oxane
CID 71182925
2-(3-bromopropyl)oxolane
CID 15783712
2-methyl-3-[3-(oxolan-2-yl)propylsulfanyl]propan-1-amine
CID 66224560

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(oxolan-2-yl)butylsulfanyl]pentyl]oxolane?
The IUPAC name of 2-[5-[4-(oxolan-2-yl)butylsulfanyl]pentyl]oxolane (CID 57157104) is 2-[5-[4-(oxolan-2-yl)butylsulfanyl]pentyl]oxolane.
What is the SMILES notation for 2-[5-[4-(oxolan-2-yl)butylsulfanyl]pentyl]oxolane?
The canonical SMILES for 2-[5-[4-(oxolan-2-yl)butylsulfanyl]pentyl]oxolane is C(CCSCCCCC1CCCO1)CCC1CCCO1.
What is the InChIKey of 2-[5-[4-(oxolan-2-yl)butylsulfanyl]pentyl]oxolane?
The InChIKey is ZFPLXWQLCLMFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2S/c1(2-8-16-10-6-12-18-16)4-14-20-15-5-3-9-17-11-7-13-19-17/h16-17H,1-15H2.
What are the key properties of 2-[5-[4-(oxolan-2-yl)butylsulfanyl]pentyl]oxolane?
2-[5-[4-(oxolan-2-yl)butylsulfanyl]pentyl]oxolane has a molecular weight of 300.51 g/mol, XLogP of 4.81, 11 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)butylsulfanyl]pentyl]oxolane is sourced from PubChem (CID 57157104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).