(E)-2-methyl-1-(2-pentylsulfanylethoxy)hex-1-ene

C14H28OS — CID 146322694

IUPAC(E)-2-methyl-1-(2-pentylsulfanylethoxy)hex-1-ene
SMILESCCCCCSCCO/C=C(\C)CCCC
InChIInChI=1S/C14H28OS/c1-4-6-8-11-16-12-10-15-13-14(3)9-7-5-2/h13H,4-12H2,1-3H3/b14-13+
InChIKeyJARNBACCODZRAD-BUHFOSPRSA-N
MW244.44 g/mol
LogP5.02
Rot. Bonds11

About (E)-2-methyl-1-(2-pentylsulfanylethoxy)hex-1-ene

(E)-2-methyl-1-(2-pentylsulfanylethoxy)hex-1-ene (PubChem CID 146322694) has the molecular formula C14H28OS and a molecular weight of 244.44 g/mol. Its IUPAC name is (E)-2-methyl-1-(2-pentylsulfanylethoxy)hex-1-ene.

Molecular Properties

Compound Name(E)-2-methyl-1-(2-pentylsulfanylethoxy)hex-1-ene
PubChem CID146322694
Molecular FormulaC14H28OS
Molecular Weight244.44 g/mol
Exact Mass244.19
IUPAC Name(E)-2-methyl-1-(2-pentylsulfanylethoxy)hex-1-ene
SMILESCCCCCSCCO/C=C(\C)CCCC
InChIInChI=1S/C14H28OS/c1-4-6-8-11-16-12-10-15-13-14(3)9-7-5-2/h13H,4-12H2,1-3H3/b14-13+
InChIKeyJARNBACCODZRAD-BUHFOSPRSA-N
XLogP5.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.44
LogP ≤ 55.02
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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Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-1-(2-pentylsulfanylethoxy)hex-1-ene?
The IUPAC name of (E)-2-methyl-1-(2-pentylsulfanylethoxy)hex-1-ene (CID 146322694) is (E)-2-methyl-1-(2-pentylsulfanylethoxy)hex-1-ene.
What is the SMILES notation for (E)-2-methyl-1-(2-pentylsulfanylethoxy)hex-1-ene?
The canonical SMILES for (E)-2-methyl-1-(2-pentylsulfanylethoxy)hex-1-ene is CCCCCSCCO/C=C(\C)CCCC.
What is the InChIKey of (E)-2-methyl-1-(2-pentylsulfanylethoxy)hex-1-ene?
The InChIKey is JARNBACCODZRAD-BUHFOSPRSA-N. The full InChI is InChI=1S/C14H28OS/c1-4-6-8-11-16-12-10-15-13-14(3)9-7-5-2/h13H,4-12H2,1-3H3/b14-13+.
What are the key properties of (E)-2-methyl-1-(2-pentylsulfanylethoxy)hex-1-ene?
(E)-2-methyl-1-(2-pentylsulfanylethoxy)hex-1-ene has a molecular weight of 244.44 g/mol, XLogP of 5.02, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-1-(2-pentylsulfanylethoxy)hex-1-ene is sourced from PubChem (CID 146322694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).