4-(1-methylsulfanylprop-1-en-2-yl)heptane

C11H22S — CID 123842045

IUPAC4-(1-methylsulfanylprop-1-en-2-yl)heptane
SMILESCCCC(CCC)C(C)=CSC
InChIInChI=1S/C11H22S/c1-5-7-11(8-6-2)10(3)9-12-4/h9,11H,5-8H2,1-4H3
InChIKeyQTOYJOCIIMKHME-UHFFFAOYSA-N
MW186.36 g/mol
LogP4.47
Rot. Bonds6

About 4-(1-methylsulfanylprop-1-en-2-yl)heptane

4-(1-methylsulfanylprop-1-en-2-yl)heptane (PubChem CID 123842045) has the molecular formula C11H22S and a molecular weight of 186.36 g/mol. Its IUPAC name is 4-(1-methylsulfanylprop-1-en-2-yl)heptane.

Molecular Properties

Compound Name4-(1-methylsulfanylprop-1-en-2-yl)heptane
PubChem CID123842045
Molecular FormulaC11H22S
Molecular Weight186.36 g/mol
Exact Mass186.14
IUPAC Name4-(1-methylsulfanylprop-1-en-2-yl)heptane
SMILESCCCC(CCC)C(C)=CSC
InChIInChI=1S/C11H22S/c1-5-7-11(8-6-2)10(3)9-12-4/h9,11H,5-8H2,1-4H3
InChIKeyQTOYJOCIIMKHME-UHFFFAOYSA-N
XLogP4.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.36
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(Z)-2-methyl-1-methylsulfanyloct-1-ene
CID 100956910
[(E)-2-methylsulfanylethenyl]cyclohexane
CID 134986023
3,11-Dimethyl-7-methylidenedodecane-1-thiol
CID 171109147
1-(2-Methylenecyclohexyl)butane-1-thiol
CID 11217648
2-Butyl-4-pentenethiol
CID 129783071
(Z)-2-methyl-1-methylsulfanyldec-1-ene
CID 132505443
1-Methyl-4-[(4-methylcyclohexylidene)methylsulfanylmethylidene]cyclohexane
CID 134834912
(Z)-1-deuterio-2-methyl-1-methylsulfanyloct-1-ene
CID 134851777
[(Z)-2-methylsulfanylethenyl]cyclohexane
CID 134933564
1-Cyclohexyl-3-methyl-3-butene-1-thiol
CID 24973560
1-Methyl-4-(3-methylbut-3-enyl)thian-1-ium
CID 20664953
3-Ethyl-5-methylidenethiepane
CID 53782997

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylsulfanylprop-1-en-2-yl)heptane?
The IUPAC name of 4-(1-methylsulfanylprop-1-en-2-yl)heptane (CID 123842045) is 4-(1-methylsulfanylprop-1-en-2-yl)heptane.
What is the SMILES notation for 4-(1-methylsulfanylprop-1-en-2-yl)heptane?
The canonical SMILES for 4-(1-methylsulfanylprop-1-en-2-yl)heptane is CCCC(CCC)C(C)=CSC.
What is the InChIKey of 4-(1-methylsulfanylprop-1-en-2-yl)heptane?
The InChIKey is QTOYJOCIIMKHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22S/c1-5-7-11(8-6-2)10(3)9-12-4/h9,11H,5-8H2,1-4H3.
What are the key properties of 4-(1-methylsulfanylprop-1-en-2-yl)heptane?
4-(1-methylsulfanylprop-1-en-2-yl)heptane has a molecular weight of 186.36 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylsulfanylprop-1-en-2-yl)heptane is sourced from PubChem (CID 123842045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).