(E)-3-methoxy-5-methylsulfanylpent-2-ene

C7H14OS — CID 143866458

IUPAC(E)-3-methoxy-5-methylsulfanylpent-2-ene
SMILESC/C=C(\CCSC)OC
InChIInChI=1S/C7H14OS/c1-4-7(8-2)5-6-9-3/h4H,5-6H2,1-3H3/b7-4+
InChIKeyGZNSAERWKNZMSL-QPJJXVBHSA-N
MW146.25 g/mol
LogP2.29
Rot. Bonds4

About (E)-3-methoxy-5-methylsulfanylpent-2-ene

(E)-3-methoxy-5-methylsulfanylpent-2-ene (PubChem CID 143866458) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is (E)-3-methoxy-5-methylsulfanylpent-2-ene.

Molecular Properties

Compound Name(E)-3-methoxy-5-methylsulfanylpent-2-ene
PubChem CID143866458
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name(E)-3-methoxy-5-methylsulfanylpent-2-ene
SMILESC/C=C(\CCSC)OC
InChIInChI=1S/C7H14OS/c1-4-7(8-2)5-6-9-3/h4H,5-6H2,1-3H3/b7-4+
InChIKeyGZNSAERWKNZMSL-QPJJXVBHSA-N
XLogP2.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,6-dihydro-4-methoxy-(2H)-thiopyran
CID 18934922
3-Methoxy-2-methyl-2,5-dihydrothiophene
CID 130205381
(E)-2-[2-[(E)-but-2-en-2-yl]oxyethylsulfanyl]pent-2-ene
CID 154968497
(Z)-3-methoxy-1-methylsulfanylbut-2-ene
CID 12723535
(E)-2-methoxy-1-methylsulfanylbut-2-ene
CID 12723547
(2E,4E)-2-methoxy-5-methylsulfanylhepta-2,4-diene
CID 143911299
(Z)-3-(1-methylsulfanylethenoxy)pent-2-ene
CID 168190463

Frequently Asked Questions

What is the IUPAC name of (E)-3-methoxy-5-methylsulfanylpent-2-ene?
The IUPAC name of (E)-3-methoxy-5-methylsulfanylpent-2-ene (CID 143866458) is (E)-3-methoxy-5-methylsulfanylpent-2-ene.
What is the SMILES notation for (E)-3-methoxy-5-methylsulfanylpent-2-ene?
The canonical SMILES for (E)-3-methoxy-5-methylsulfanylpent-2-ene is C/C=C(\CCSC)OC.
What is the InChIKey of (E)-3-methoxy-5-methylsulfanylpent-2-ene?
The InChIKey is GZNSAERWKNZMSL-QPJJXVBHSA-N. The full InChI is InChI=1S/C7H14OS/c1-4-7(8-2)5-6-9-3/h4H,5-6H2,1-3H3/b7-4+.
What are the key properties of (E)-3-methoxy-5-methylsulfanylpent-2-ene?
(E)-3-methoxy-5-methylsulfanylpent-2-ene has a molecular weight of 146.25 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methoxy-5-methylsulfanylpent-2-ene is sourced from PubChem (CID 143866458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).