1,1,1-triethoxy-10-(propyldisulfanyl)decane

C19H40O3S2 — CID 150716554

IUPAC1,1,1-triethoxy-10-(propyldisulfanyl)decane
SMILESCCCSSCCCCCCCCCC(OCC)(OCC)OCC
InChIInChI=1S/C19H40O3S2/c1-5-17-23-24-18-15-13-11-9-10-12-14-16-19(20-6-2,21-7-3)22-8-4/h5-18H2,1-4H3
InChIKeyJOZMSHNXHDUHOO-UHFFFAOYSA-N
MW380.66 g/mol
LogP6.66
Rot. Bonds19

About 1,1,1-triethoxy-10-(propyldisulfanyl)decane

1,1,1-triethoxy-10-(propyldisulfanyl)decane (PubChem CID 150716554) has the molecular formula C19H40O3S2 and a molecular weight of 380.66 g/mol. Its IUPAC name is 1,1,1-triethoxy-10-(propyldisulfanyl)decane.

Molecular Properties

Compound Name1,1,1-triethoxy-10-(propyldisulfanyl)decane
PubChem CID150716554
Molecular FormulaC19H40O3S2
Molecular Weight380.66 g/mol
Exact Mass380.24
IUPAC Name1,1,1-triethoxy-10-(propyldisulfanyl)decane
SMILESCCCSSCCCCCCCCCC(OCC)(OCC)OCC
InChIInChI=1S/C19H40O3S2/c1-5-17-23-24-18-15-13-11-9-10-12-14-16-19(20-6-2,21-7-3)22-8-4/h5-18H2,1-4H3
InChIKeyJOZMSHNXHDUHOO-UHFFFAOYSA-N
XLogP6.66
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.66
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ruthenium;1,1,1-triethoxydecane
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1,1,1-triethoxy-11-ethyltetradecane
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1-(10,10,10-triethoxydecyl)-4-[[[4-(10,10,10-triethoxydecyl)phenyl]methyldisulfanyl]methyl]benzene
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8,8,8-triethoxyoctan-3-amine
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N-(3,3,3-triethoxypropyl)undecan-1-amine
CID 159840900
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CID 175029383

Frequently Asked Questions

What is the IUPAC name of 1,1,1-triethoxy-10-(propyldisulfanyl)decane?
The IUPAC name of 1,1,1-triethoxy-10-(propyldisulfanyl)decane (CID 150716554) is 1,1,1-triethoxy-10-(propyldisulfanyl)decane.
What is the SMILES notation for 1,1,1-triethoxy-10-(propyldisulfanyl)decane?
The canonical SMILES for 1,1,1-triethoxy-10-(propyldisulfanyl)decane is CCCSSCCCCCCCCCC(OCC)(OCC)OCC.
What is the InChIKey of 1,1,1-triethoxy-10-(propyldisulfanyl)decane?
The InChIKey is JOZMSHNXHDUHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O3S2/c1-5-17-23-24-18-15-13-11-9-10-12-14-16-19(20-6-2,21-7-3)22-8-4/h5-18H2,1-4H3.
What are the key properties of 1,1,1-triethoxy-10-(propyldisulfanyl)decane?
1,1,1-triethoxy-10-(propyldisulfanyl)decane has a molecular weight of 380.66 g/mol, XLogP of 6.66, 19 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-triethoxy-10-(propyldisulfanyl)decane is sourced from PubChem (CID 150716554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).