(E)-4-propan-2-ylsulfanylpent-2-ene

C8H16S — CID 14364621

IUPAC(E)-4-propan-2-ylsulfanylpent-2-ene
SMILESC/C=C/C(C)SC(C)C
InChIInChI=1S/C8H16S/c1-5-6-8(4)9-7(2)3/h5-8H,1-4H3/b6-5+
InChIKeyLAJWBCFVZVSLGO-AATRIKPKSA-N
MW144.28 g/mol
LogP3.09
Rot. Bonds3

About (E)-4-propan-2-ylsulfanylpent-2-ene

(E)-4-propan-2-ylsulfanylpent-2-ene (PubChem CID 14364621) has the molecular formula C8H16S and a molecular weight of 144.28 g/mol. Its IUPAC name is (E)-4-propan-2-ylsulfanylpent-2-ene.

Molecular Properties

Compound Name(E)-4-propan-2-ylsulfanylpent-2-ene
PubChem CID14364621
Molecular FormulaC8H16S
Molecular Weight144.28 g/mol
Exact Mass144.10
IUPAC Name(E)-4-propan-2-ylsulfanylpent-2-ene
SMILESC/C=C/C(C)SC(C)C
InChIInChI=1S/C8H16S/c1-5-6-8(4)9-7(2)3/h5-8H,1-4H3/b6-5+
InChIKeyLAJWBCFVZVSLGO-AATRIKPKSA-N
XLogP3.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.28
LogP ≤ 53.09
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

(E,4R)-1-methoxy-4-propan-2-ylsulfanylpent-2-ene
CID 14364624
(5E)-3-propan-2-ylsulfanylhepta-1,5-dien-4-ol
CID 13263785
4-methylpent-2-ene
CID 12659
methane;2-propan-2-ylsulfanylpropane
CID 172836255
pent-3-en-2-ylsulfanylbenzene
CID 71350028
(E)-N,N-dimethylpent-3-en-2-amine;hydrochloride
CID 155225928
pent-3-ene-2-thiol
CID 11072706
(E)-pent-3-en-2-amine
CID 13149669
trimethyl(1-trimethylsilylbut-2-enyl)silane
CID 54411457
1-chloro-4-[(E,2R)-pent-3-en-2-yl]sulfanylbenzene
CID 10998347
(E)-4-methylpent-2-ene;propane
CID 142019888
trimethyl-[(E)-1-trimethylsilylbut-2-enyl]silane;hydrate
CID 21197028

Frequently Asked Questions

What is the IUPAC name of (E)-4-propan-2-ylsulfanylpent-2-ene?
The IUPAC name of (E)-4-propan-2-ylsulfanylpent-2-ene (CID 14364621) is (E)-4-propan-2-ylsulfanylpent-2-ene.
What is the SMILES notation for (E)-4-propan-2-ylsulfanylpent-2-ene?
The canonical SMILES for (E)-4-propan-2-ylsulfanylpent-2-ene is C/C=C/C(C)SC(C)C.
What is the InChIKey of (E)-4-propan-2-ylsulfanylpent-2-ene?
The InChIKey is LAJWBCFVZVSLGO-AATRIKPKSA-N. The full InChI is InChI=1S/C8H16S/c1-5-6-8(4)9-7(2)3/h5-8H,1-4H3/b6-5+.
What are the key properties of (E)-4-propan-2-ylsulfanylpent-2-ene?
(E)-4-propan-2-ylsulfanylpent-2-ene has a molecular weight of 144.28 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-propan-2-ylsulfanylpent-2-ene is sourced from PubChem (CID 14364621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).