3-methyl-4-propylsulfanylpent-2-ene

C9H18S — CID 134866824

IUPAC3-methyl-4-propylsulfanylpent-2-ene
SMILESCC=C(C)C(C)SCCC
InChIInChI=1S/C9H18S/c1-5-7-10-9(4)8(3)6-2/h6,9H,5,7H2,1-4H3
InChIKeyDGTWCJUCELXZIH-UHFFFAOYSA-N
MW158.31 g/mol
LogP3.48
Rot. Bonds4

About 3-methyl-4-propylsulfanylpent-2-ene

3-methyl-4-propylsulfanylpent-2-ene (PubChem CID 134866824) has the molecular formula C9H18S and a molecular weight of 158.31 g/mol. Its IUPAC name is 3-methyl-4-propylsulfanylpent-2-ene.

Molecular Properties

Compound Name3-methyl-4-propylsulfanylpent-2-ene
PubChem CID134866824
Molecular FormulaC9H18S
Molecular Weight158.31 g/mol
Exact Mass158.11
IUPAC Name3-methyl-4-propylsulfanylpent-2-ene
SMILESCC=C(C)C(C)SCCC
InChIInChI=1S/C9H18S/c1-5-7-10-9(4)8(3)6-2/h6,9H,5,7H2,1-4H3
InChIKeyDGTWCJUCELXZIH-UHFFFAOYSA-N
XLogP3.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.31
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,6-Octadiene, 3,7-dimethyl-1-(methylthio)-, (2E)-
CID 6442043
2,6-Octadiene, 3,7-dimethyl-1-(methylthio)-, (2Z)-
CID 6442039
(2E,6E)-3,7,11-trimethyl-1-propan-2-ylsulfanyldodeca-2,6,10-triene
CID 71498424
(2E,6E)-3,7,11-trimethyl-1-propylsulfanyldodeca-2,6,10-triene
CID 71498425
2-(4-Methylpent-3-enyl)-1,3-dithiane
CID 15059664
4-methyl-3,6-dihydro-2H-thiopyran
CID 12282558
(Z)-7-methylsulfanyl-hept-3-ene
CID 13527978
(E)-1-methylsulfanylhept-3-ene
CID 14024901
5-Tert-butyl-2,3-dihydrothiophene
CID 15191430
3-Ethylthio-3-hexene
CID 15905675
1-Propenylpropylsulphide
CID 53869957
Farnesyl thioether
CID 53929832

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-propylsulfanylpent-2-ene?
The IUPAC name of 3-methyl-4-propylsulfanylpent-2-ene (CID 134866824) is 3-methyl-4-propylsulfanylpent-2-ene.
What is the SMILES notation for 3-methyl-4-propylsulfanylpent-2-ene?
The canonical SMILES for 3-methyl-4-propylsulfanylpent-2-ene is CC=C(C)C(C)SCCC.
What is the InChIKey of 3-methyl-4-propylsulfanylpent-2-ene?
The InChIKey is DGTWCJUCELXZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18S/c1-5-7-10-9(4)8(3)6-2/h6,9H,5,7H2,1-4H3.
What are the key properties of 3-methyl-4-propylsulfanylpent-2-ene?
3-methyl-4-propylsulfanylpent-2-ene has a molecular weight of 158.31 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-propylsulfanylpent-2-ene is sourced from PubChem (CID 134866824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).