(E)-1-butylsulfanylhex-1-ene

C10H20S — CID 13468726

IUPAC(E)-1-butylsulfanylhex-1-ene
SMILESCCCC/C=C/SCCCC
InChIInChI=1S/C10H20S/c1-3-5-7-8-10-11-9-6-4-2/h8,10H,3-7,9H2,1-2H3/b10-8+
InChIKeyMTPHMYVTTCAHKJ-CSKARUKUSA-N
MW172.34 g/mol
LogP4.22
Rot. Bonds7

About (E)-1-butylsulfanylhex-1-ene

(E)-1-butylsulfanylhex-1-ene (PubChem CID 13468726) has the molecular formula C10H20S and a molecular weight of 172.34 g/mol. Its IUPAC name is (E)-1-butylsulfanylhex-1-ene.

Molecular Properties

Compound Name(E)-1-butylsulfanylhex-1-ene
PubChem CID13468726
Molecular FormulaC10H20S
Molecular Weight172.34 g/mol
Exact Mass172.13
IUPAC Name(E)-1-butylsulfanylhex-1-ene
SMILESCCCC/C=C/SCCCC
InChIInChI=1S/C10H20S/c1-3-5-7-8-10-11-9-6-4-2/h8,10H,3-7,9H2,1-2H3/b10-8+
InChIKeyMTPHMYVTTCAHKJ-CSKARUKUSA-N
XLogP4.22
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 ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-butylsulfanylhex-1-ene?
The IUPAC name of (E)-1-butylsulfanylhex-1-ene (CID 13468726) is (E)-1-butylsulfanylhex-1-ene.
What is the SMILES notation for (E)-1-butylsulfanylhex-1-ene?
The canonical SMILES for (E)-1-butylsulfanylhex-1-ene is CCCC/C=C/SCCCC.
What is the InChIKey of (E)-1-butylsulfanylhex-1-ene?
The InChIKey is MTPHMYVTTCAHKJ-CSKARUKUSA-N. The full InChI is InChI=1S/C10H20S/c1-3-5-7-8-10-11-9-6-4-2/h8,10H,3-7,9H2,1-2H3/b10-8+.
What are the key properties of (E)-1-butylsulfanylhex-1-ene?
(E)-1-butylsulfanylhex-1-ene has a molecular weight of 172.34 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-butylsulfanylhex-1-ene is sourced from PubChem (CID 13468726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).