1,1-diethoxy-1-propylsulfanyldecane

C17H36O2S — CID 151705455

IUPAC1,1-diethoxy-1-propylsulfanyldecane
SMILESCCCCCCCCCC(OCC)(OCC)SCCC
InChIInChI=1S/C17H36O2S/c1-5-9-10-11-12-13-14-15-17(18-7-3,19-8-4)20-16-6-2/h5-16H2,1-4H3
InChIKeyRFMCNKXDZVQNAT-UHFFFAOYSA-N
MW304.54 g/mol
LogP6.00
Rot. Bonds15

About 1,1-diethoxy-1-propylsulfanyldecane

1,1-diethoxy-1-propylsulfanyldecane (PubChem CID 151705455) has the molecular formula C17H36O2S and a molecular weight of 304.54 g/mol. Its IUPAC name is 1,1-diethoxy-1-propylsulfanyldecane.

Molecular Properties

Compound Name1,1-diethoxy-1-propylsulfanyldecane
PubChem CID151705455
Molecular FormulaC17H36O2S
Molecular Weight304.54 g/mol
Exact Mass304.24
IUPAC Name1,1-diethoxy-1-propylsulfanyldecane
SMILESCCCCCCCCCC(OCC)(OCC)SCCC
InChIInChI=1S/C17H36O2S/c1-5-9-10-11-12-13-14-15-17(18-7-3,19-8-4)20-16-6-2/h5-16H2,1-4H3
InChIKeyRFMCNKXDZVQNAT-UHFFFAOYSA-N
XLogP6.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.54
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-Ethoxy-1-methylsulfanyltridecane
CID 13433558
2-Propyl-2-(11,13-dioxatetradecyl)-1,3-dithiane
CID 85907343
Di-n-heptyloxyethyl sulfide
CID 129819260
2-Butyl-2-[8-(methoxymethoxy)octyl]-1,3-dithiane
CID 10521721
2-[9-(Methoxymethoxy)nonyl]-2-propyl-1,3-dithiane
CID 10569769
2-Butyl-2-[6-(methoxymethoxy)hexyl]-1,3-dithiane
CID 10892575
1-[2-(2-Dodecoxyethylsulfanyl)ethoxy]dodecane
CID 14172768
1-(3-Dodecylsulfanylpropoxy)dodecane
CID 20371894
1-(3-Dodecylsulfanylpropoxy)hexadecane
CID 20371909
2-(2-Butylsulfanyl-3-octadecoxypropoxy)oxane
CID 20432199
2,2-Diethoxythiocane
CID 21161903
O,O'-Didodecyl 3,3'-sulfanediyldipropanethioate
CID 23541105

Frequently Asked Questions

What is the IUPAC name of 1,1-diethoxy-1-propylsulfanyldecane?
The IUPAC name of 1,1-diethoxy-1-propylsulfanyldecane (CID 151705455) is 1,1-diethoxy-1-propylsulfanyldecane.
What is the SMILES notation for 1,1-diethoxy-1-propylsulfanyldecane?
The canonical SMILES for 1,1-diethoxy-1-propylsulfanyldecane is CCCCCCCCCC(OCC)(OCC)SCCC.
What is the InChIKey of 1,1-diethoxy-1-propylsulfanyldecane?
The InChIKey is RFMCNKXDZVQNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O2S/c1-5-9-10-11-12-13-14-15-17(18-7-3,19-8-4)20-16-6-2/h5-16H2,1-4H3.
What are the key properties of 1,1-diethoxy-1-propylsulfanyldecane?
1,1-diethoxy-1-propylsulfanyldecane has a molecular weight of 304.54 g/mol, XLogP of 6.00, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxy-1-propylsulfanyldecane is sourced from PubChem (CID 151705455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).