11-(2-prop-2-enoxyethoxy)undecane-1-thiol

C16H32O2S — CID 59422673

IUPAC11-(2-prop-2-enoxyethoxy)undecane-1-thiol
SMILESC=CCOCCOCCCCCCCCCCCS
InChIInChI=1S/C16H32O2S/c1-2-12-17-14-15-18-13-10-8-6-4-3-5-7-9-11-16-19/h2,19H,1,3-16H2
InChIKeyDGHFDAAUFXIGCS-UHFFFAOYSA-N
MW288.50 g/mol
LogP4.65
Rot. Bonds16

About 11-(2-prop-2-enoxyethoxy)undecane-1-thiol

11-(2-prop-2-enoxyethoxy)undecane-1-thiol (PubChem CID 59422673) has the molecular formula C16H32O2S and a molecular weight of 288.50 g/mol. Its IUPAC name is 11-(2-prop-2-enoxyethoxy)undecane-1-thiol.

Molecular Properties

Compound Name11-(2-prop-2-enoxyethoxy)undecane-1-thiol
PubChem CID59422673
Molecular FormulaC16H32O2S
Molecular Weight288.50 g/mol
Exact Mass288.21
IUPAC Name11-(2-prop-2-enoxyethoxy)undecane-1-thiol
SMILESC=CCOCCOCCCCCCCCCCCS
InChIInChI=1S/C16H32O2S/c1-2-12-17-14-15-18-13-10-8-6-4-3-5-7-9-11-16-19/h2,19H,1,3-16H2
InChIKeyDGHFDAAUFXIGCS-UHFFFAOYSA-N
XLogP4.65
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.50
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ene
CID 58112303
4-[4-[4-(4-prop-2-enoxybutoxy)butoxy]butoxy]butan-1-ol
CID 19068478
4-(4-prop-2-enoxybutoxy)butan-1-ol
CID 87308231
9-[2-(3-methoxypropoxy)ethoxy]nonane-1-thiol
CID 103176254
2-(6-sulfanylhexoxy)ethanol
CID 88540112
3-(5-sulfanylpentoxy)propanal
CID 177265933
3-prop-2-enoxypropan-1-olate
CID 58860427
12-dodec-11-enoxydodec-1-ene
CID 87325659
1-prop-2-enoxypentane;zirconium
CID 175164581
6-[2-(2-methylpropoxy)ethoxy]hexane-1-thiol
CID 106451165
1-(3-methylbut-2-enoxy)-5-prop-2-enoxypentane
CID 11218120
11-[2-[2-[2-(3,3,3-trifluoropropoxy)ethoxy]ethoxy]ethoxy]undecane-1-thiol
CID 101457918

Frequently Asked Questions

What is the IUPAC name of 11-(2-prop-2-enoxyethoxy)undecane-1-thiol?
The IUPAC name of 11-(2-prop-2-enoxyethoxy)undecane-1-thiol (CID 59422673) is 11-(2-prop-2-enoxyethoxy)undecane-1-thiol.
What is the SMILES notation for 11-(2-prop-2-enoxyethoxy)undecane-1-thiol?
The canonical SMILES for 11-(2-prop-2-enoxyethoxy)undecane-1-thiol is C=CCOCCOCCCCCCCCCCCS.
What is the InChIKey of 11-(2-prop-2-enoxyethoxy)undecane-1-thiol?
The InChIKey is DGHFDAAUFXIGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2S/c1-2-12-17-14-15-18-13-10-8-6-4-3-5-7-9-11-16-19/h2,19H,1,3-16H2.
What are the key properties of 11-(2-prop-2-enoxyethoxy)undecane-1-thiol?
11-(2-prop-2-enoxyethoxy)undecane-1-thiol has a molecular weight of 288.50 g/mol, XLogP of 4.65, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2-prop-2-enoxyethoxy)undecane-1-thiol is sourced from PubChem (CID 59422673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).