1-pent-3-enylsulfanylpentane

C10H20S — CID 123423871

IUPAC1-pent-3-enylsulfanylpentane
SMILESCC=CCCSCCCCC
InChIInChI=1S/C10H20S/c1-3-5-7-9-11-10-8-6-4-2/h3,5H,4,6-10H2,1-2H3
InChIKeyKEFJBJHZMXUKKE-UHFFFAOYSA-N
MW172.34 g/mol
LogP3.88
Rot. Bonds7

About 1-pent-3-enylsulfanylpentane

1-pent-3-enylsulfanylpentane (PubChem CID 123423871) has the molecular formula C10H20S and a molecular weight of 172.34 g/mol. Its IUPAC name is 1-pent-3-enylsulfanylpentane.

Molecular Properties

Compound Name1-pent-3-enylsulfanylpentane
PubChem CID123423871
Molecular FormulaC10H20S
Molecular Weight172.34 g/mol
Exact Mass172.13
IUPAC Name1-pent-3-enylsulfanylpentane
SMILESCC=CCCSCCCCC
InChIInChI=1S/C10H20S/c1-3-5-7-9-11-10-8-6-4-2/h3,5H,4,6-10H2,1-2H3
InChIKeyKEFJBJHZMXUKKE-UHFFFAOYSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.34
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-6-propylsulfanylhex-2-ene
CID 173027131
(Z)-oct-2-ene
CID 5356796
hexane;(Z)-hex-2-ene
CID 159343029
(E)-7-ethylsulfanylhept-2-ene
CID 173027184
1-hexylsulfanylicosane
CID 87077585
1-nonylsulfanyldodecane
CID 87077738
1-hexylsulfanyl-8-pentylsulfanyloctane
CID 167032436
1-octadecylsulfanyloctacosane
CID 87077538
1-dodecylsulfanylicosane
CID 87077505
1-tetracosylsulfanyloctacosane
CID 87077758
1-hexylsulfanyloctane
CID 15742910
1-hexylsulfanyloctadecane
CID 21424485

Frequently Asked Questions

What is the IUPAC name of 1-pent-3-enylsulfanylpentane?
The IUPAC name of 1-pent-3-enylsulfanylpentane (CID 123423871) is 1-pent-3-enylsulfanylpentane.
What is the SMILES notation for 1-pent-3-enylsulfanylpentane?
The canonical SMILES for 1-pent-3-enylsulfanylpentane is CC=CCCSCCCCC.
What is the InChIKey of 1-pent-3-enylsulfanylpentane?
The InChIKey is KEFJBJHZMXUKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20S/c1-3-5-7-9-11-10-8-6-4-2/h3,5H,4,6-10H2,1-2H3.
What are the key properties of 1-pent-3-enylsulfanylpentane?
1-pent-3-enylsulfanylpentane has a molecular weight of 172.34 g/mol, XLogP of 3.88, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-3-enylsulfanylpentane is sourced from PubChem (CID 123423871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).