4-butylsulfanyl-5-methoxypent-1-ene

C10H20OS — CID 10888711

IUPAC4-butylsulfanyl-5-methoxypent-1-ene
SMILESC=CCC(COC)SCCCC
InChIInChI=1S/C10H20OS/c1-4-6-8-12-10(7-5-2)9-11-3/h5,10H,2,4,6-9H2,1,3H3
InChIKeyWIXUOEDPKWQLKS-UHFFFAOYSA-N
MW188.34 g/mol
LogP3.11
Rot. Bonds8

About 4-butylsulfanyl-5-methoxypent-1-ene

4-butylsulfanyl-5-methoxypent-1-ene (PubChem CID 10888711) has the molecular formula C10H20OS and a molecular weight of 188.34 g/mol. Its IUPAC name is 4-butylsulfanyl-5-methoxypent-1-ene.

Molecular Properties

Compound Name4-butylsulfanyl-5-methoxypent-1-ene
PubChem CID10888711
Molecular FormulaC10H20OS
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name4-butylsulfanyl-5-methoxypent-1-ene
SMILESC=CCC(COC)SCCCC
InChIInChI=1S/C10H20OS/c1-4-6-8-12-10(7-5-2)9-11-3/h5,10H,2,4,6-9H2,1,3H3
InChIKeyWIXUOEDPKWQLKS-UHFFFAOYSA-N
XLogP3.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-butylsulfanyl-5-methoxypent-1-ene?
The IUPAC name of 4-butylsulfanyl-5-methoxypent-1-ene (CID 10888711) is 4-butylsulfanyl-5-methoxypent-1-ene.
What is the SMILES notation for 4-butylsulfanyl-5-methoxypent-1-ene?
The canonical SMILES for 4-butylsulfanyl-5-methoxypent-1-ene is C=CCC(COC)SCCCC.
What is the InChIKey of 4-butylsulfanyl-5-methoxypent-1-ene?
The InChIKey is WIXUOEDPKWQLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20OS/c1-4-6-8-12-10(7-5-2)9-11-3/h5,10H,2,4,6-9H2,1,3H3.
What are the key properties of 4-butylsulfanyl-5-methoxypent-1-ene?
4-butylsulfanyl-5-methoxypent-1-ene has a molecular weight of 188.34 g/mol, XLogP of 3.11, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butylsulfanyl-5-methoxypent-1-ene is sourced from PubChem (CID 10888711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).