6-propylsulfanylhex-1-ene

C9H18S — CID 23466654

IUPAC6-propylsulfanylhex-1-ene
SMILESC=CCCCCSCCC
InChIInChI=1S/C9H18S/c1-3-5-6-7-9-10-8-4-2/h3H,1,4-9H2,2H3
InChIKeyHVRBMRRIAVJSDK-UHFFFAOYSA-N
MW158.31 g/mol
LogP3.49
Rot. Bonds7

About 6-propylsulfanylhex-1-ene

6-propylsulfanylhex-1-ene (PubChem CID 23466654) has the molecular formula C9H18S and a molecular weight of 158.31 g/mol. Its IUPAC name is 6-propylsulfanylhex-1-ene.

Molecular Properties

Compound Name6-propylsulfanylhex-1-ene
PubChem CID23466654
Molecular FormulaC9H18S
Molecular Weight158.31 g/mol
Exact Mass158.11
IUPAC Name6-propylsulfanylhex-1-ene
SMILESC=CCCCCSCCC
InChIInChI=1S/C9H18S/c1-3-5-6-7-9-10-8-4-2/h3H,1,4-9H2,2H3
InChIKeyHVRBMRRIAVJSDK-UHFFFAOYSA-N
XLogP3.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.31
LogP ≤ 53.49
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'}

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Related Compounds

5-(3-ethylsulfanylpropylsulfanyl)pent-1-ene
CID 11820260
4-hex-5-enylsulfanylbutan-1-ol
CID 132567975
octadec-1-ene;tetradec-1-ene
CID 158470925
1-propylsulfanylhexadecane
CID 19914808
non-1-ene
CID 141296734
hexane;octadec-1-ene
CID 175577514
4-(3-but-3-enylsulfanylpropylsulfanyl)but-1-ene
CID 59551659
octadeca-1,17-diene;tetradec-1-ene
CID 173070986
dec-1-ene;dodec-1-ene;tetradec-1-ene
CID 159177706
octadecane;octadec-1-ene
CID 162018238
hept-1-ene;polane
CID 173465915
dec-1-ene;ethene
CID 161044144

Frequently Asked Questions

What is the IUPAC name of 6-propylsulfanylhex-1-ene?
The IUPAC name of 6-propylsulfanylhex-1-ene (CID 23466654) is 6-propylsulfanylhex-1-ene.
What is the SMILES notation for 6-propylsulfanylhex-1-ene?
The canonical SMILES for 6-propylsulfanylhex-1-ene is C=CCCCCSCCC.
What is the InChIKey of 6-propylsulfanylhex-1-ene?
The InChIKey is HVRBMRRIAVJSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18S/c1-3-5-6-7-9-10-8-4-2/h3H,1,4-9H2,2H3.
What are the key properties of 6-propylsulfanylhex-1-ene?
6-propylsulfanylhex-1-ene has a molecular weight of 158.31 g/mol, XLogP of 3.49, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propylsulfanylhex-1-ene is sourced from PubChem (CID 23466654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).