1-(2-ethylsulfanylethoxy)penta-1,4-diene;rutherfordium

C9H15ORfS- — CID 59029810

IUPAC1-(2-ethylsulfanylethoxy)penta-1,4-diene;rutherfordium
SMILESC=CCC=COCCSC[CH2-].[Rf]
InChIInChI=1S/C9H15OS.Rf/c1-3-5-6-7-10-8-9-11-4-2;/h3,6-7H,1-2,4-5,8-9H2;/q-1;
InChIKeyLHFZTMHWQMCXRO-UHFFFAOYSA-N
MW438.29 g/mol
LogP2.66
Rot. Bonds7

About 1-(2-ethylsulfanylethoxy)penta-1,4-diene;rutherfordium

1-(2-ethylsulfanylethoxy)penta-1,4-diene;rutherfordium (PubChem CID 59029810) has the molecular formula C9H15ORfS- and a molecular weight of 438.29 g/mol. Its IUPAC name is 1-(2-ethylsulfanylethoxy)penta-1,4-diene;rutherfordium.

Molecular Properties

Compound Name1-(2-ethylsulfanylethoxy)penta-1,4-diene;rutherfordium
PubChem CID59029810
Molecular FormulaC9H15ORfS-
Molecular Weight438.29 g/mol
Exact Mass438.21
IUPAC Name1-(2-ethylsulfanylethoxy)penta-1,4-diene;rutherfordium
SMILESC=CCC=COCCSC[CH2-].[Rf]
InChIInChI=1S/C9H15OS.Rf/c1-3-5-6-7-10-8-9-11-4-2;/h3,6-7H,1-2,4-5,8-9H2;/q-1;
InChIKeyLHFZTMHWQMCXRO-UHFFFAOYSA-N
XLogP2.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.29
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,3-Dihydrofuranyl ethyl sulfide
CID 129671338
Ethoxyvinylthiirane
CID 129793083
2,3,5,6-Tetrahydro-1,4-oxathiocine
CID 129879427
3-(2-Ethenoxyethylsulfanyl)prop-1-ene
CID 18539675
2,3-Dihydrofuran;thiolane
CID 22142203
3-Penta-1,4-dienoxypropane-1-thiolate;rutherfordium
CID 59029816
2-Penta-1,4-dienoxyethanethiolate;rutherfordium
CID 59029818
2-(2,3-Dihydrofuran-2-ylsulfanyl)-2,3-dihydrofuran
CID 68126610
4-(4-Sulfanylbut-1-enoxy)but-3-ene-1-thiol
CID 91112274
3-Methylsulfanyl-1-propoxyprop-1-ene
CID 123221448
3-Methylsulfanyl-2,3-dihydrofuran
CID 123921746
4-(2-Methoxyethylsulfanyl)but-1-ene
CID 130683358

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfanylethoxy)penta-1,4-diene;rutherfordium?
The IUPAC name of 1-(2-ethylsulfanylethoxy)penta-1,4-diene;rutherfordium (CID 59029810) is 1-(2-ethylsulfanylethoxy)penta-1,4-diene;rutherfordium.
What is the SMILES notation for 1-(2-ethylsulfanylethoxy)penta-1,4-diene;rutherfordium?
The canonical SMILES for 1-(2-ethylsulfanylethoxy)penta-1,4-diene;rutherfordium is C=CCC=COCCSC[CH2-].[Rf].
What is the InChIKey of 1-(2-ethylsulfanylethoxy)penta-1,4-diene;rutherfordium?
The InChIKey is LHFZTMHWQMCXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15OS.Rf/c1-3-5-6-7-10-8-9-11-4-2;/h3,6-7H,1-2,4-5,8-9H2;/q-1;.
What are the key properties of 1-(2-ethylsulfanylethoxy)penta-1,4-diene;rutherfordium?
1-(2-ethylsulfanylethoxy)penta-1,4-diene;rutherfordium has a molecular weight of 438.29 g/mol, XLogP of 2.66, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfanylethoxy)penta-1,4-diene;rutherfordium is sourced from PubChem (CID 59029810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).