ethane;hexane;(Z)-1-methylsulfanylprop-1-ene

C18H46S — CID 167712236

IUPACethane;hexane;(Z)-1-methylsulfanylprop-1-ene
SMILESC/C=C\SC.CC.CC.CC.CC.CCCCCC
InChIInChI=1S/C6H14.C4H8S.4C2H6/c1-3-5-6-4-2;1-3-4-5-2;4*1-2/h3-6H2,1-2H3;3-4H,1-2H3;4*1-2H3/b;4-3-;;;;
InChIKeyQCOHNMKWEYSXTO-BQRHYOBJSA-N
MW294.63 g/mol
LogP8.57
Rot. Bonds4

About ethane;hexane;(Z)-1-methylsulfanylprop-1-ene

ethane;hexane;(Z)-1-methylsulfanylprop-1-ene (PubChem CID 167712236) has the molecular formula C18H46S and a molecular weight of 294.63 g/mol. Its IUPAC name is ethane;hexane;(Z)-1-methylsulfanylprop-1-ene.

Molecular Properties

Compound Nameethane;hexane;(Z)-1-methylsulfanylprop-1-ene
PubChem CID167712236
Molecular FormulaC18H46S
Molecular Weight294.63 g/mol
Exact Mass294.33
IUPAC Nameethane;hexane;(Z)-1-methylsulfanylprop-1-ene
SMILESC/C=C\SC.CC.CC.CC.CC.CCCCCC
InChIInChI=1S/C6H14.C4H8S.4C2H6/c1-3-5-6-4-2;1-3-4-5-2;4*1-2/h3-6H2,1-2H3;3-4H,1-2H3;4*1-2H3/b;4-3-;;;;
InChIKeyQCOHNMKWEYSXTO-BQRHYOBJSA-N
XLogP8.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.63
LogP ≤ 58.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;hexane;(Z)-1-methylsulfanylprop-1-ene?
The IUPAC name of ethane;hexane;(Z)-1-methylsulfanylprop-1-ene (CID 167712236) is ethane;hexane;(Z)-1-methylsulfanylprop-1-ene.
What is the SMILES notation for ethane;hexane;(Z)-1-methylsulfanylprop-1-ene?
The canonical SMILES for ethane;hexane;(Z)-1-methylsulfanylprop-1-ene is C/C=C\SC.CC.CC.CC.CC.CCCCCC.
What is the InChIKey of ethane;hexane;(Z)-1-methylsulfanylprop-1-ene?
The InChIKey is QCOHNMKWEYSXTO-BQRHYOBJSA-N. The full InChI is InChI=1S/C6H14.C4H8S.4C2H6/c1-3-5-6-4-2;1-3-4-5-2;4*1-2/h3-6H2,1-2H3;3-4H,1-2H3;4*1-2H3/b;4-3-;;;;.
What are the key properties of ethane;hexane;(Z)-1-methylsulfanylprop-1-ene?
ethane;hexane;(Z)-1-methylsulfanylprop-1-ene has a molecular weight of 294.63 g/mol, XLogP of 8.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;hexane;(Z)-1-methylsulfanylprop-1-ene is sourced from PubChem (CID 167712236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).