7-propan-2-ylsulfanylhept-1-ene

C10H20S — CID 23466756

IUPAC7-propan-2-ylsulfanylhept-1-ene
SMILESC=CCCCCCSC(C)C
InChIInChI=1S/C10H20S/c1-4-5-6-7-8-9-11-10(2)3/h4,10H,1,5-9H2,2-3H3
InChIKeyXMUOPXCKWSUDFO-UHFFFAOYSA-N
MW172.34 g/mol
LogP3.87
Rot. Bonds7

About 7-propan-2-ylsulfanylhept-1-ene

7-propan-2-ylsulfanylhept-1-ene (PubChem CID 23466756) has the molecular formula C10H20S and a molecular weight of 172.34 g/mol. Its IUPAC name is 7-propan-2-ylsulfanylhept-1-ene.

Molecular Properties

Compound Name7-propan-2-ylsulfanylhept-1-ene
PubChem CID23466756
Molecular FormulaC10H20S
Molecular Weight172.34 g/mol
Exact Mass172.13
IUPAC Name7-propan-2-ylsulfanylhept-1-ene
SMILESC=CCCCCCSC(C)C
InChIInChI=1S/C10H20S/c1-4-5-6-7-8-9-11-10(2)3/h4,10H,1,5-9H2,2-3H3
InChIKeyXMUOPXCKWSUDFO-UHFFFAOYSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.34
LogP ≤ 53.87
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

heptacosa-1,26-diene
CID 58905535
heptadeca-1,16-diene
CID 6429392
octadeca-1,17-diene;tetradec-1-ene
CID 173070986
octadec-1-ene;tetradec-1-ene
CID 158470925
non-1-ene
CID 141296734
hexane;octadec-1-ene
CID 175577514
dec-1-ene;dodec-1-ene;tetradec-1-ene
CID 159177706
octadecane;octadec-1-ene
CID 162018238
ethylamino(hex-5-enylsulfanyl)methanol
CID 163422640
25-methylhexacos-1-ene
CID 141407501
26-methylheptacos-1-ene
CID 154926473
dec-1-ene;ethene
CID 161044144

Frequently Asked Questions

What is the IUPAC name of 7-propan-2-ylsulfanylhept-1-ene?
The IUPAC name of 7-propan-2-ylsulfanylhept-1-ene (CID 23466756) is 7-propan-2-ylsulfanylhept-1-ene.
What is the SMILES notation for 7-propan-2-ylsulfanylhept-1-ene?
The canonical SMILES for 7-propan-2-ylsulfanylhept-1-ene is C=CCCCCCSC(C)C.
What is the InChIKey of 7-propan-2-ylsulfanylhept-1-ene?
The InChIKey is XMUOPXCKWSUDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20S/c1-4-5-6-7-8-9-11-10(2)3/h4,10H,1,5-9H2,2-3H3.
What are the key properties of 7-propan-2-ylsulfanylhept-1-ene?
7-propan-2-ylsulfanylhept-1-ene has a molecular weight of 172.34 g/mol, XLogP of 3.87, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-ylsulfanylhept-1-ene is sourced from PubChem (CID 23466756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).