2-methyl-1-(4-methylpent-3-en-2-ylsulfanyl)pent-2-ene

C12H22S — CID 131887262

IUPAC2-methyl-1-(4-methylpent-3-en-2-ylsulfanyl)pent-2-ene
SMILESCCC=C(C)CSC(C)C=C(C)C
InChIInChI=1S/C12H22S/c1-6-7-11(4)9-13-12(5)8-10(2)3/h7-8,12H,6,9H2,1-5H3
InChIKeyCELNHDXPTXOZIV-UHFFFAOYSA-N
MW198.37 g/mol
LogP4.43
Rot. Bonds5

About 2-methyl-1-(4-methylpent-3-en-2-ylsulfanyl)pent-2-ene

2-methyl-1-(4-methylpent-3-en-2-ylsulfanyl)pent-2-ene (PubChem CID 131887262) has the molecular formula C12H22S and a molecular weight of 198.37 g/mol. Its IUPAC name is 2-methyl-1-(4-methylpent-3-en-2-ylsulfanyl)pent-2-ene.

Molecular Properties

Compound Name2-methyl-1-(4-methylpent-3-en-2-ylsulfanyl)pent-2-ene
PubChem CID131887262
Molecular FormulaC12H22S
Molecular Weight198.37 g/mol
Exact Mass198.14
IUPAC Name2-methyl-1-(4-methylpent-3-en-2-ylsulfanyl)pent-2-ene
SMILESCCC=C(C)CSC(C)C=C(C)C
InChIInChI=1S/C12H22S/c1-6-7-11(4)9-13-12(5)8-10(2)3/h7-8,12H,6,9H2,1-5H3
InChIKeyCELNHDXPTXOZIV-UHFFFAOYSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.37
LogP ≤ 54.43
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 2-methyl-1-(4-methylpent-3-en-2-ylsulfanyl)pent-2-ene?
The IUPAC name of 2-methyl-1-(4-methylpent-3-en-2-ylsulfanyl)pent-2-ene (CID 131887262) is 2-methyl-1-(4-methylpent-3-en-2-ylsulfanyl)pent-2-ene.
What is the SMILES notation for 2-methyl-1-(4-methylpent-3-en-2-ylsulfanyl)pent-2-ene?
The canonical SMILES for 2-methyl-1-(4-methylpent-3-en-2-ylsulfanyl)pent-2-ene is CCC=C(C)CSC(C)C=C(C)C.
What is the InChIKey of 2-methyl-1-(4-methylpent-3-en-2-ylsulfanyl)pent-2-ene?
The InChIKey is CELNHDXPTXOZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22S/c1-6-7-11(4)9-13-12(5)8-10(2)3/h7-8,12H,6,9H2,1-5H3.
What are the key properties of 2-methyl-1-(4-methylpent-3-en-2-ylsulfanyl)pent-2-ene?
2-methyl-1-(4-methylpent-3-en-2-ylsulfanyl)pent-2-ene has a molecular weight of 198.37 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylpent-3-en-2-ylsulfanyl)pent-2-ene is sourced from PubChem (CID 131887262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).