1-[2-[2-(2-ethenoxyethoxy)ethylsulfanyl]ethoxy]pent-1-ene

C13H24O3S — CID 175076544

IUPAC1-[2-[2-(2-ethenoxyethoxy)ethylsulfanyl]ethoxy]pent-1-ene
SMILESC=COCCOCCSCCOC=CCCC
InChIInChI=1S/C13H24O3S/c1-3-5-6-7-15-10-12-17-13-11-16-9-8-14-4-2/h4,6-7H,2-3,5,8-13H2,1H3
InChIKeyKGJDKHCBNIXGQC-UHFFFAOYSA-N
MW260.40 g/mol
LogP3.23
Rot. Bonds13

About 1-[2-[2-(2-ethenoxyethoxy)ethylsulfanyl]ethoxy]pent-1-ene

1-[2-[2-(2-ethenoxyethoxy)ethylsulfanyl]ethoxy]pent-1-ene (PubChem CID 175076544) has the molecular formula C13H24O3S and a molecular weight of 260.40 g/mol. Its IUPAC name is 1-[2-[2-(2-ethenoxyethoxy)ethylsulfanyl]ethoxy]pent-1-ene.

Molecular Properties

Compound Name1-[2-[2-(2-ethenoxyethoxy)ethylsulfanyl]ethoxy]pent-1-ene
PubChem CID175076544
Molecular FormulaC13H24O3S
Molecular Weight260.40 g/mol
Exact Mass260.14
IUPAC Name1-[2-[2-(2-ethenoxyethoxy)ethylsulfanyl]ethoxy]pent-1-ene
SMILESC=COCCOCCSCCOC=CCCC
InChIInChI=1S/C13H24O3S/c1-3-5-6-7-15-10-12-17-13-11-16-9-8-14-4-2/h4,6-7H,2-3,5,8-13H2,1H3
InChIKeyKGJDKHCBNIXGQC-UHFFFAOYSA-N
XLogP3.23
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1-[2-[2-(2-ethenoxyethoxy)ethylsulfanyl]ethoxy]pent-1-ene?
The IUPAC name of 1-[2-[2-(2-ethenoxyethoxy)ethylsulfanyl]ethoxy]pent-1-ene (CID 175076544) is 1-[2-[2-(2-ethenoxyethoxy)ethylsulfanyl]ethoxy]pent-1-ene.
What is the SMILES notation for 1-[2-[2-(2-ethenoxyethoxy)ethylsulfanyl]ethoxy]pent-1-ene?
The canonical SMILES for 1-[2-[2-(2-ethenoxyethoxy)ethylsulfanyl]ethoxy]pent-1-ene is C=COCCOCCSCCOC=CCCC.
What is the InChIKey of 1-[2-[2-(2-ethenoxyethoxy)ethylsulfanyl]ethoxy]pent-1-ene?
The InChIKey is KGJDKHCBNIXGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3S/c1-3-5-6-7-15-10-12-17-13-11-16-9-8-14-4-2/h4,6-7H,2-3,5,8-13H2,1H3.
What are the key properties of 1-[2-[2-(2-ethenoxyethoxy)ethylsulfanyl]ethoxy]pent-1-ene?
1-[2-[2-(2-ethenoxyethoxy)ethylsulfanyl]ethoxy]pent-1-ene has a molecular weight of 260.40 g/mol, XLogP of 3.23, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-ethenoxyethoxy)ethylsulfanyl]ethoxy]pent-1-ene is sourced from PubChem (CID 175076544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).