5-butylsulfanyl-5-methoxypent-1-ene

C10H20OS — CID 15262048

IUPAC5-butylsulfanyl-5-methoxypent-1-ene
SMILESC=CCCC(OC)SCCCC
InChIInChI=1S/C10H20OS/c1-4-6-8-10(11-3)12-9-7-5-2/h4,10H,1,5-9H2,2-3H3
InChIKeyCVWJKTZOMAUFMU-UHFFFAOYSA-N
MW188.34 g/mol
LogP3.46
Rot. Bonds8

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

5-butylsulfanyl-5-methoxypent-1-ene (PubChem CID 15262048) has the molecular formula C10H20OS and a molecular weight of 188.34 g/mol. Its IUPAC name is 5-butylsulfanyl-5-methoxypent-1-ene.

Molecular Properties

Compound Name5-butylsulfanyl-5-methoxypent-1-ene
PubChem CID15262048
Molecular FormulaC10H20OS
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name5-butylsulfanyl-5-methoxypent-1-ene
SMILESC=CCCC(OC)SCCCC
InChIInChI=1S/C10H20OS/c1-4-6-8-10(11-3)12-9-7-5-2/h4,10H,1,5-9H2,2-3H3
InChIKeyCVWJKTZOMAUFMU-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,5-Dibutylthio-2,3-dihydro-4h-pyran
CID 15211176
2-(3-Butenyl)-2-methyl-1,3-oxathiolane
CID 15938034
2-tert-butylsulfanyl-3,4-dihydro-2H-pyran
CID 14112549
2-methoxy-3,4-dihydro-2H-thiopyran
CID 18690613
2-ethoxy-3,4-dihydro-2H-thiopyran
CID 18690614
3,4-dihydro-2H-thiopyran;2-methoxy-3,4-dihydro-2H-thiopyran
CID 19352752
2-(Methoxymethyl)-2,3-dihydrothiophene
CID 54203975
2-(2-Ethoxyethyl)-2,3-dihydrothiophene
CID 67866147
2-(2-Propoxyethyl)-2,3-dihydrothiophene
CID 70647710
1-Pentylsulfanylpent-4-en-1-ol
CID 88473581
2-(Butoxymethyl)-2,3-dihydrothiophene
CID 90694438
2-(Propoxymethyl)-2,3-dihydrothiophene
CID 90980385

Frequently Asked Questions

What is the IUPAC name of 5-butylsulfanyl-5-methoxypent-1-ene?
The IUPAC name of 5-butylsulfanyl-5-methoxypent-1-ene (CID 15262048) is 5-butylsulfanyl-5-methoxypent-1-ene.
What is the SMILES notation for 5-butylsulfanyl-5-methoxypent-1-ene?
The canonical SMILES for 5-butylsulfanyl-5-methoxypent-1-ene is C=CCCC(OC)SCCCC.
What is the InChIKey of 5-butylsulfanyl-5-methoxypent-1-ene?
The InChIKey is CVWJKTZOMAUFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20OS/c1-4-6-8-10(11-3)12-9-7-5-2/h4,10H,1,5-9H2,2-3H3.
What are the key properties of 5-butylsulfanyl-5-methoxypent-1-ene?
5-butylsulfanyl-5-methoxypent-1-ene has a molecular weight of 188.34 g/mol, XLogP of 3.46, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylsulfanyl-5-methoxypent-1-ene is sourced from PubChem (CID 15262048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).