(E)-1-methoxy-3-propan-2-ylsulfanylprop-1-en-1-ol

C7H14O2S — CID 101023351

IUPAC(E)-1-methoxy-3-propan-2-ylsulfanylprop-1-en-1-ol
SMILESCO/C(O)=C/CSC(C)C
InChIInChI=1S/C7H14O2S/c1-6(2)10-5-4-7(8)9-3/h4,6,8H,5H2,1-3H3/b7-4+
InChIKeyDOEIPXDDWIICSS-QPJJXVBHSA-N
MW162.25 g/mol
LogP2.17
Rot. Bonds4

About (E)-1-methoxy-3-propan-2-ylsulfanylprop-1-en-1-ol

(E)-1-methoxy-3-propan-2-ylsulfanylprop-1-en-1-ol (PubChem CID 101023351) has the molecular formula C7H14O2S and a molecular weight of 162.25 g/mol. Its IUPAC name is (E)-1-methoxy-3-propan-2-ylsulfanylprop-1-en-1-ol.

Molecular Properties

Compound Name(E)-1-methoxy-3-propan-2-ylsulfanylprop-1-en-1-ol
PubChem CID101023351
Molecular FormulaC7H14O2S
Molecular Weight162.25 g/mol
Exact Mass162.07
IUPAC Name(E)-1-methoxy-3-propan-2-ylsulfanylprop-1-en-1-ol
SMILESCO/C(O)=C/CSC(C)C
InChIInChI=1S/C7H14O2S/c1-6(2)10-5-4-7(8)9-3/h4,6,8H,5H2,1-3H3/b7-4+
InChIKeyDOEIPXDDWIICSS-QPJJXVBHSA-N
XLogP2.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.25
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-methoxy-3-propan-2-ylsulfanylprop-1-en-1-ol?
The IUPAC name of (E)-1-methoxy-3-propan-2-ylsulfanylprop-1-en-1-ol (CID 101023351) is (E)-1-methoxy-3-propan-2-ylsulfanylprop-1-en-1-ol.
What is the SMILES notation for (E)-1-methoxy-3-propan-2-ylsulfanylprop-1-en-1-ol?
The canonical SMILES for (E)-1-methoxy-3-propan-2-ylsulfanylprop-1-en-1-ol is CO/C(O)=C/CSC(C)C.
What is the InChIKey of (E)-1-methoxy-3-propan-2-ylsulfanylprop-1-en-1-ol?
The InChIKey is DOEIPXDDWIICSS-QPJJXVBHSA-N. The full InChI is InChI=1S/C7H14O2S/c1-6(2)10-5-4-7(8)9-3/h4,6,8H,5H2,1-3H3/b7-4+.
What are the key properties of (E)-1-methoxy-3-propan-2-ylsulfanylprop-1-en-1-ol?
(E)-1-methoxy-3-propan-2-ylsulfanylprop-1-en-1-ol has a molecular weight of 162.25 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-methoxy-3-propan-2-ylsulfanylprop-1-en-1-ol is sourced from PubChem (CID 101023351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).