ethane;4-methyl-5-methylsulfanylhex-1-ene

C10H22S — CID 145359225

IUPACethane;4-methyl-5-methylsulfanylhex-1-ene
SMILESC=CCC(C)C(C)SC.CC
InChIInChI=1S/C8H16S.C2H6/c1-5-6-7(2)8(3)9-4;1-2/h5,7-8H,1,6H2,2-4H3;1-2H3
InChIKeyDTFPLHKOZGJJOX-UHFFFAOYSA-N
MW174.35 g/mol
LogP3.98
Rot. Bonds4

About ethane;4-methyl-5-methylsulfanylhex-1-ene

ethane;4-methyl-5-methylsulfanylhex-1-ene (PubChem CID 145359225) has the molecular formula C10H22S and a molecular weight of 174.35 g/mol. Its IUPAC name is ethane;4-methyl-5-methylsulfanylhex-1-ene.

Molecular Properties

Compound Nameethane;4-methyl-5-methylsulfanylhex-1-ene
PubChem CID145359225
Molecular FormulaC10H22S
Molecular Weight174.35 g/mol
Exact Mass174.14
IUPAC Nameethane;4-methyl-5-methylsulfanylhex-1-ene
SMILESC=CCC(C)C(C)SC.CC
InChIInChI=1S/C8H16S.C2H6/c1-5-6-7(2)8(3)9-4;1-2/h5,7-8H,1,6H2,2-4H3;1-2H3
InChIKeyDTFPLHKOZGJJOX-UHFFFAOYSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.35
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-5-methylsulfanylhex-1-ene?
The IUPAC name of ethane;4-methyl-5-methylsulfanylhex-1-ene (CID 145359225) is ethane;4-methyl-5-methylsulfanylhex-1-ene.
What is the SMILES notation for ethane;4-methyl-5-methylsulfanylhex-1-ene?
The canonical SMILES for ethane;4-methyl-5-methylsulfanylhex-1-ene is C=CCC(C)C(C)SC.CC.
What is the InChIKey of ethane;4-methyl-5-methylsulfanylhex-1-ene?
The InChIKey is DTFPLHKOZGJJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16S.C2H6/c1-5-6-7(2)8(3)9-4;1-2/h5,7-8H,1,6H2,2-4H3;1-2H3.
What are the key properties of ethane;4-methyl-5-methylsulfanylhex-1-ene?
ethane;4-methyl-5-methylsulfanylhex-1-ene has a molecular weight of 174.35 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-5-methylsulfanylhex-1-ene is sourced from PubChem (CID 145359225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).