5-but-2-ynylsulfanylpent-1-ene

C9H14S — CID 130642386

IUPAC5-but-2-ynylsulfanylpent-1-ene
SMILESC=CCCCSCC#CC
InChIInChI=1S/C9H14S/c1-3-5-7-9-10-8-6-4-2/h3H,1,5,7-9H2,2H3
InChIKeyXXRSOYGYMDUJNZ-UHFFFAOYSA-N
MW154.28 g/mol
LogP2.71
Rot. Bonds5

About 5-but-2-ynylsulfanylpent-1-ene

5-but-2-ynylsulfanylpent-1-ene (PubChem CID 130642386) has the molecular formula C9H14S and a molecular weight of 154.28 g/mol. Its IUPAC name is 5-but-2-ynylsulfanylpent-1-ene.

Molecular Properties

Compound Name5-but-2-ynylsulfanylpent-1-ene
PubChem CID130642386
Molecular FormulaC9H14S
Molecular Weight154.28 g/mol
Exact Mass154.08
IUPAC Name5-but-2-ynylsulfanylpent-1-ene
SMILESC=CCCCSCC#CC
InChIInChI=1S/C9H14S/c1-3-5-7-9-10-8-6-4-2/h3H,1,5,7-9H2,2H3
InChIKeyXXRSOYGYMDUJNZ-UHFFFAOYSA-N
XLogP2.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.28
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-but-2-ynylsulfanylpentane
CID 131084294
5-(3-ethylsulfanylpropylsulfanyl)pent-1-ene
CID 11820260
5-(2-methylpropylsulfanyl)pent-1-ene
CID 130683764
6-propylsulfanylhex-1-ene
CID 23466654
carbon monoxide;cobalt;9-ethylsulfanylnon-1-en-6-yne
CID 11048940
4-(3-but-3-enylsulfanylpropylsulfanyl)but-1-ene
CID 59551659
1-(2-methylsulfonylethylsulfanyl)but-2-yne
CID 131216245
6-ethylsulfanylhex-2-yne
CID 91281812
non-1-en-6-yne
CID 56979748
4-hex-5-enylsulfanylbutan-1-ol
CID 132567975
acetonitrile;hex-1-ene
CID 18663777
heptacosa-1,26-diene
CID 58905535

Frequently Asked Questions

What is the IUPAC name of 5-but-2-ynylsulfanylpent-1-ene?
The IUPAC name of 5-but-2-ynylsulfanylpent-1-ene (CID 130642386) is 5-but-2-ynylsulfanylpent-1-ene.
What is the SMILES notation for 5-but-2-ynylsulfanylpent-1-ene?
The canonical SMILES for 5-but-2-ynylsulfanylpent-1-ene is C=CCCCSCC#CC.
What is the InChIKey of 5-but-2-ynylsulfanylpent-1-ene?
The InChIKey is XXRSOYGYMDUJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14S/c1-3-5-7-9-10-8-6-4-2/h3H,1,5,7-9H2,2H3.
What are the key properties of 5-but-2-ynylsulfanylpent-1-ene?
5-but-2-ynylsulfanylpent-1-ene has a molecular weight of 154.28 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-2-ynylsulfanylpent-1-ene is sourced from PubChem (CID 130642386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).