(Z)-3-ethyl-1-(2-methylbutan-2-ylsulfanyl)hex-1-ene

C13H26S — CID 138484760

IUPAC(Z)-3-ethyl-1-(2-methylbutan-2-ylsulfanyl)hex-1-ene
SMILESCCCC(/C=C\SC(C)(C)CC)CC
InChIInChI=1S/C13H26S/c1-6-9-12(7-2)10-11-14-13(4,5)8-3/h10-12H,6-9H2,1-5H3/b11-10-
InChIKeyXFALVRWHGGQYMW-KHPPLWFESA-N
MW214.42 g/mol
LogP5.25
Rot. Bonds7

About (Z)-3-ethyl-1-(2-methylbutan-2-ylsulfanyl)hex-1-ene

(Z)-3-ethyl-1-(2-methylbutan-2-ylsulfanyl)hex-1-ene (PubChem CID 138484760) has the molecular formula C13H26S and a molecular weight of 214.42 g/mol. Its IUPAC name is (Z)-3-ethyl-1-(2-methylbutan-2-ylsulfanyl)hex-1-ene.

Molecular Properties

Compound Name(Z)-3-ethyl-1-(2-methylbutan-2-ylsulfanyl)hex-1-ene
PubChem CID138484760
Molecular FormulaC13H26S
Molecular Weight214.42 g/mol
Exact Mass214.18
IUPAC Name(Z)-3-ethyl-1-(2-methylbutan-2-ylsulfanyl)hex-1-ene
SMILESCCCC(/C=C\SC(C)(C)CC)CC
InChIInChI=1S/C13H26S/c1-6-9-12(7-2)10-11-14-13(4,5)8-3/h10-12H,6-9H2,1-5H3/b11-10-
InChIKeyXFALVRWHGGQYMW-KHPPLWFESA-N
XLogP5.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500214.42
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Butylsulfanyl-2-prop-2-enylpent-4-ene-1-selone
CID 5325632
2-Methyl-5-methylsulfanyl-5-propan-2-ylsulfanyl-4-prop-1-en-2-ylocta-1,7-diene
CID 13610908
[(E)-2-methylsulfanylethenyl]cyclohexane
CID 134986023
6-Fluoro-3,6-dimethyl-5-(methylsulfanylmethyl)hept-1-ene
CID 123687972
3-Methylsulfanylhept-1-ene
CID 13297788
(3S,4S,5S)-3,4-dimethyl-5-methylsulfanylnon-1-ene
CID 10910550
2-Butyl-4-pentenethiol
CID 129783071
[(Z)-2-methylsulfanylethenyl]cyclohexane
CID 134933564
(4S,5S)-4-methyl-5-methylsulfanylhex-1-ene
CID 134980226
2-Butylsulfanyl-5-methyl-3-prop-2-enylselenolane
CID 134989037
(2S,3S)-2,3-dimethyl-3,4-dihydro-2H-thiopyran
CID 134996658
(4S,5S)-4-methyl-5-methylsulfanylnon-1-ene
CID 135060143

Frequently Asked Questions

What is the IUPAC name of (Z)-3-ethyl-1-(2-methylbutan-2-ylsulfanyl)hex-1-ene?
The IUPAC name of (Z)-3-ethyl-1-(2-methylbutan-2-ylsulfanyl)hex-1-ene (CID 138484760) is (Z)-3-ethyl-1-(2-methylbutan-2-ylsulfanyl)hex-1-ene.
What is the SMILES notation for (Z)-3-ethyl-1-(2-methylbutan-2-ylsulfanyl)hex-1-ene?
The canonical SMILES for (Z)-3-ethyl-1-(2-methylbutan-2-ylsulfanyl)hex-1-ene is CCCC(/C=C\SC(C)(C)CC)CC.
What is the InChIKey of (Z)-3-ethyl-1-(2-methylbutan-2-ylsulfanyl)hex-1-ene?
The InChIKey is XFALVRWHGGQYMW-KHPPLWFESA-N. The full InChI is InChI=1S/C13H26S/c1-6-9-12(7-2)10-11-14-13(4,5)8-3/h10-12H,6-9H2,1-5H3/b11-10-.
What are the key properties of (Z)-3-ethyl-1-(2-methylbutan-2-ylsulfanyl)hex-1-ene?
(Z)-3-ethyl-1-(2-methylbutan-2-ylsulfanyl)hex-1-ene has a molecular weight of 214.42 g/mol, XLogP of 5.25, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-ethyl-1-(2-methylbutan-2-ylsulfanyl)hex-1-ene is sourced from PubChem (CID 138484760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).