5-[5-(oxan-2-yloxy)pentoxy]pentane-1-thiol

C15H30O3S — CID 19901107

IUPAC5-[5-(oxan-2-yloxy)pentoxy]pentane-1-thiol
SMILESSCCCCCOCCCCCOC1CCCCO1
InChIInChI=1S/C15H30O3S/c19-14-8-2-5-11-16-10-4-1-6-12-17-15-9-3-7-13-18-15/h15,19H,1-14H2
InChIKeyWHKUUNOBJSBTSX-UHFFFAOYSA-N
MW290.47 g/mol
LogP3.82
Rot. Bonds12

About 5-[5-(oxan-2-yloxy)pentoxy]pentane-1-thiol

5-[5-(oxan-2-yloxy)pentoxy]pentane-1-thiol (PubChem CID 19901107) has the molecular formula C15H30O3S and a molecular weight of 290.47 g/mol. Its IUPAC name is 5-[5-(oxan-2-yloxy)pentoxy]pentane-1-thiol.

Molecular Properties

Compound Name5-[5-(oxan-2-yloxy)pentoxy]pentane-1-thiol
PubChem CID19901107
Molecular FormulaC15H30O3S
Molecular Weight290.47 g/mol
Exact Mass290.19
IUPAC Name5-[5-(oxan-2-yloxy)pentoxy]pentane-1-thiol
SMILESSCCCCCOCCCCCOC1CCCCO1
InChIInChI=1S/C15H30O3S/c19-14-8-2-5-11-16-10-4-1-6-12-17-15-9-3-7-13-18-15/h15,19H,1-14H2
InChIKeyWHKUUNOBJSBTSX-UHFFFAOYSA-N
XLogP3.82
TPSA27.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.47
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(Tetrahydro-pyran-2-yloxy)-ethanethiol
CID 14411018
2H-Pyran, 2-[2-(ethynylthio)ethoxy]tetrahydro-
CID 11126997
2-[2-(Thiiran-2-yl)ethoxy]oxane
CID 12015179
2-[2-(Oxan-2-yloxy)ethoxy]ethanethiol
CID 19901038
3-[3-(Oxan-2-yloxy)propoxy]propane-1-thiol
CID 19901078
8-[(Oxan-2-yl)oxy]octane-1-thiol
CID 20238733
1-[4,6-Bis(2-sulfanylbutyl)-1,3,5-trioxan-2-yl]butane-2-thiol
CID 20502944
THP-SS-alcohol
CID 54588714
3-(Oxan-2-yloxy)propane-1-thiol
CID 57429252
2-(2-Propan-2-ylsulfanylethoxy)oxane
CID 59460174
Oxan-2-yloxymethanethiol
CID 59515178
2-Ethoxy-2-(5-ethoxypentoxy)ethanethiol
CID 87428681

Frequently Asked Questions

What is the IUPAC name of 5-[5-(oxan-2-yloxy)pentoxy]pentane-1-thiol?
The IUPAC name of 5-[5-(oxan-2-yloxy)pentoxy]pentane-1-thiol (CID 19901107) is 5-[5-(oxan-2-yloxy)pentoxy]pentane-1-thiol.
What is the SMILES notation for 5-[5-(oxan-2-yloxy)pentoxy]pentane-1-thiol?
The canonical SMILES for 5-[5-(oxan-2-yloxy)pentoxy]pentane-1-thiol is SCCCCCOCCCCCOC1CCCCO1.
What is the InChIKey of 5-[5-(oxan-2-yloxy)pentoxy]pentane-1-thiol?
The InChIKey is WHKUUNOBJSBTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3S/c19-14-8-2-5-11-16-10-4-1-6-12-17-15-9-3-7-13-18-15/h15,19H,1-14H2.
What are the key properties of 5-[5-(oxan-2-yloxy)pentoxy]pentane-1-thiol?
5-[5-(oxan-2-yloxy)pentoxy]pentane-1-thiol has a molecular weight of 290.47 g/mol, XLogP of 3.82, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(oxan-2-yloxy)pentoxy]pentane-1-thiol is sourced from PubChem (CID 19901107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).