3-prop-2-enoxy-3-prop-2-enylsulfanylprop-1-ene

C9H14OS — CID 173128297

IUPAC3-prop-2-enoxy-3-prop-2-enylsulfanylprop-1-ene
SMILESC=CCOC(C=C)SCC=C
InChIInChI=1S/C9H14OS/c1-4-7-10-9(6-3)11-8-5-2/h4-6,9H,1-3,7-8H2
InChIKeyYRJJHZDQAQQNGL-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.62
Rot. Bonds7

About 3-prop-2-enoxy-3-prop-2-enylsulfanylprop-1-ene

3-prop-2-enoxy-3-prop-2-enylsulfanylprop-1-ene (PubChem CID 173128297) has the molecular formula C9H14OS and a molecular weight of 170.28 g/mol. Its IUPAC name is 3-prop-2-enoxy-3-prop-2-enylsulfanylprop-1-ene.

Molecular Properties

Compound Name3-prop-2-enoxy-3-prop-2-enylsulfanylprop-1-ene
PubChem CID173128297
Molecular FormulaC9H14OS
Molecular Weight170.28 g/mol
Exact Mass170.08
IUPAC Name3-prop-2-enoxy-3-prop-2-enylsulfanylprop-1-ene
SMILESC=CCOC(C=C)SCC=C
InChIInChI=1S/C9H14OS/c1-4-7-10-9(6-3)11-8-5-2/h4-6,9H,1-3,7-8H2
InChIKeyYRJJHZDQAQQNGL-UHFFFAOYSA-N
XLogP2.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(Prop-2-enoxymethyl)thiirane
CID 137593
1,4-Oxathiacyclohept-5-ene
CID 12602855
O-prop-2-enyl prop-2-enylsulfanylmethanethioate
CID 88030236
7-Oxa-4,10-dithiatridecane-1,12-diene
CID 86069100
2-Butylthio-2,5-dihydrofuran
CID 129804673
2-Propenyl 2,3-bis-(methylthio)propyl ether
CID 524110
3-Methylidene-1,4-oxathiane
CID 12602856
3-Methoxy-3-methylsulfanylprop-1-ene
CID 18720097
S-(3-prop-2-enoxypropyl) ethanethioate
CID 20097443
2-Prop-2-enoxythiolane
CID 22497281
2-Prop-2-enoxyethanethiol
CID 57003765
3-Prop-2-enoxypropane-1-thiol
CID 57270840

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enoxy-3-prop-2-enylsulfanylprop-1-ene?
The IUPAC name of 3-prop-2-enoxy-3-prop-2-enylsulfanylprop-1-ene (CID 173128297) is 3-prop-2-enoxy-3-prop-2-enylsulfanylprop-1-ene.
What is the SMILES notation for 3-prop-2-enoxy-3-prop-2-enylsulfanylprop-1-ene?
The canonical SMILES for 3-prop-2-enoxy-3-prop-2-enylsulfanylprop-1-ene is C=CCOC(C=C)SCC=C.
What is the InChIKey of 3-prop-2-enoxy-3-prop-2-enylsulfanylprop-1-ene?
The InChIKey is YRJJHZDQAQQNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14OS/c1-4-7-10-9(6-3)11-8-5-2/h4-6,9H,1-3,7-8H2.
What are the key properties of 3-prop-2-enoxy-3-prop-2-enylsulfanylprop-1-ene?
3-prop-2-enoxy-3-prop-2-enylsulfanylprop-1-ene has a molecular weight of 170.28 g/mol, XLogP of 2.62, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enoxy-3-prop-2-enylsulfanylprop-1-ene is sourced from PubChem (CID 173128297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).