1-(2-ethenoxyethylsulfanyl)heptane

C11H22OS — CID 102248160

IUPAC1-(2-ethenoxyethylsulfanyl)heptane
SMILESC=COCCSCCCCCCC
InChIInChI=1S/C11H22OS/c1-3-5-6-7-8-10-13-11-9-12-4-2/h4H,2-3,5-11H2,1H3
InChIKeyYFFJXESFFVSCKW-UHFFFAOYSA-N
MW202.36 g/mol
LogP3.85
Rot. Bonds10

About 1-(2-ethenoxyethylsulfanyl)heptane

1-(2-ethenoxyethylsulfanyl)heptane (PubChem CID 102248160) has the molecular formula C11H22OS and a molecular weight of 202.36 g/mol. Its IUPAC name is 1-(2-ethenoxyethylsulfanyl)heptane.

Molecular Properties

Compound Name1-(2-ethenoxyethylsulfanyl)heptane
PubChem CID102248160
Molecular FormulaC11H22OS
Molecular Weight202.36 g/mol
Exact Mass202.14
IUPAC Name1-(2-ethenoxyethylsulfanyl)heptane
SMILESC=COCCSCCCCCCC
InChIInChI=1S/C11H22OS/c1-3-5-6-7-8-10-13-11-9-12-4-2/h4H,2-3,5-11H2,1H3
InChIKeyYFFJXESFFVSCKW-UHFFFAOYSA-N
XLogP3.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.36
LogP ≤ 53.85
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'}

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Related Compounds

1-ethenoxy-3-propylsulfanylpropane
CID 102248162
1-ethenoxytriacontane
CID 14647805
1-[2-(2-octylsulfanylethoxy)ethylsulfanyl]octane
CID 175705255
1-hexylsulfanyloctadecane
CID 21424485
1-octadecylsulfanyloctacosane
CID 87077538
1-hexylsulfanyl-8-pentylsulfanyloctane
CID 167032436
1-dodecylsulfanylicosane
CID 87077505
1-hexylsulfanyltetradecane
CID 87077491
1-nonylsulfanyldodecane
CID 87077738
1-hexylsulfanyloctane
CID 15742910
1-hexylsulfanylicosane
CID 87077585
1-tetracosylsulfanyloctacosane
CID 87077758

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethenoxyethylsulfanyl)heptane?
The IUPAC name of 1-(2-ethenoxyethylsulfanyl)heptane (CID 102248160) is 1-(2-ethenoxyethylsulfanyl)heptane.
What is the SMILES notation for 1-(2-ethenoxyethylsulfanyl)heptane?
The canonical SMILES for 1-(2-ethenoxyethylsulfanyl)heptane is C=COCCSCCCCCCC.
What is the InChIKey of 1-(2-ethenoxyethylsulfanyl)heptane?
The InChIKey is YFFJXESFFVSCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22OS/c1-3-5-6-7-8-10-13-11-9-12-4-2/h4H,2-3,5-11H2,1H3.
What are the key properties of 1-(2-ethenoxyethylsulfanyl)heptane?
1-(2-ethenoxyethylsulfanyl)heptane has a molecular weight of 202.36 g/mol, XLogP of 3.85, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenoxyethylsulfanyl)heptane is sourced from PubChem (CID 102248160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).