triethyl-[3-(4-prop-2-enoxyphenyl)propyl]-λ4-sulfane

C18H30OS — CID 170013554

IUPACtriethyl-[3-(4-prop-2-enoxyphenyl)propyl]-λ4-sulfane
SMILESC=CCOc1ccc(CCCS(CC)(CC)CC)cc1
InChIInChI=1S/C18H30OS/c1-5-15-19-18-13-11-17(12-14-18)10-9-16-20(6-2,7-3)8-4/h5,11-14H,1,6-10,15-16H2,2-4H3
InChIKeyJAYUEHVGUFVNNW-UHFFFAOYSA-N
MW294.50 g/mol
LogP5.05
Rot. Bonds10

About triethyl-[3-(4-prop-2-enoxyphenyl)propyl]-λ4-sulfane

triethyl-[3-(4-prop-2-enoxyphenyl)propyl]-λ4-sulfane (PubChem CID 170013554) has the molecular formula C18H30OS and a molecular weight of 294.50 g/mol. Its IUPAC name is triethyl-[3-(4-prop-2-enoxyphenyl)propyl]-λ4-sulfane.

Molecular Properties

Compound Nametriethyl-[3-(4-prop-2-enoxyphenyl)propyl]-λ4-sulfane
PubChem CID170013554
Molecular FormulaC18H30OS
Molecular Weight294.50 g/mol
Exact Mass294.20
IUPAC Nametriethyl-[3-(4-prop-2-enoxyphenyl)propyl]-λ4-sulfane
SMILESC=CCOc1ccc(CCCS(CC)(CC)CC)cc1
InChIInChI=1S/C18H30OS/c1-5-15-19-18-13-11-17(12-14-18)10-9-16-20(6-2,7-3)8-4/h5,11-14H,1,6-10,15-16H2,2-4H3
InChIKeyJAYUEHVGUFVNNW-UHFFFAOYSA-N
XLogP5.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.50
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(4-prop-2-enoxyphenyl)propan-1-ol
CID 54214209
1-pentyl-4-[2-(4-prop-2-enoxyphenyl)ethynyl]benzene
CID 70371623
ethyl 5-(4-prop-2-enoxyphenyl)pentanoate
CID 159399801
3-(4-ethoxyphenyl)propane-1-sulfonyl chloride
CID 98790103
1-(6-fluoroheptyl)-4-(4-prop-2-enoxyphenyl)benzene
CID 67636516
1-prop-2-enoxy-4-[[4-[3-[4-[(4-prop-2-enoxyphenyl)methyl]phenoxy]propoxy]phenyl]methyl]benzene
CID 59168518
1-[2-(4-heptylcyclohexyl)ethyl]-4-prop-2-enoxybenzene
CID 70371997
1-prop-2-enoxy-4-[4-(4-prop-2-enylphenyl)phenyl]benzene
CID 67815398
triethoxy-[(4-prop-2-enoxyphenyl)methyl]silane;triethoxy-[3-(4-prop-2-enoxyphenyl)propyl]silane;triethoxy-(4-prop-2-enoxyphenyl)silane
CID 158445572
1-ethoxy-4-[2-(4-hex-5-enylphenyl)ethynyl]benzene
CID 139767171
N-[(4-prop-2-enoxyphenyl)methyl]hexadecan-1-amine
CID 54847664
N,N-diethyl-4-prop-2-enoxybenzenesulfonamide
CID 141457908

Frequently Asked Questions

What is the IUPAC name of triethyl-[3-(4-prop-2-enoxyphenyl)propyl]-λ4-sulfane?
The IUPAC name of triethyl-[3-(4-prop-2-enoxyphenyl)propyl]-λ4-sulfane (CID 170013554) is triethyl-[3-(4-prop-2-enoxyphenyl)propyl]-λ4-sulfane.
What is the SMILES notation for triethyl-[3-(4-prop-2-enoxyphenyl)propyl]-λ4-sulfane?
The canonical SMILES for triethyl-[3-(4-prop-2-enoxyphenyl)propyl]-λ4-sulfane is C=CCOc1ccc(CCCS(CC)(CC)CC)cc1.
What is the InChIKey of triethyl-[3-(4-prop-2-enoxyphenyl)propyl]-λ4-sulfane?
The InChIKey is JAYUEHVGUFVNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30OS/c1-5-15-19-18-13-11-17(12-14-18)10-9-16-20(6-2,7-3)8-4/h5,11-14H,1,6-10,15-16H2,2-4H3.
What are the key properties of triethyl-[3-(4-prop-2-enoxyphenyl)propyl]-λ4-sulfane?
triethyl-[3-(4-prop-2-enoxyphenyl)propyl]-λ4-sulfane has a molecular weight of 294.50 g/mol, XLogP of 5.05, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[3-(4-prop-2-enoxyphenyl)propyl]-λ4-sulfane is sourced from PubChem (CID 170013554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).