6-methyl-1-propylsulfanylhept-2-ene

C11H22S — CID 91067684

IUPAC6-methyl-1-propylsulfanylhept-2-ene
SMILESCCCSCC=CCCC(C)C
InChIInChI=1S/C11H22S/c1-4-9-12-10-7-5-6-8-11(2)3/h5,7,11H,4,6,8-10H2,1-3H3
InChIKeyAPYCECCRVAZQTE-UHFFFAOYSA-N
MW186.36 g/mol
LogP4.12
Rot. Bonds7

About 6-methyl-1-propylsulfanylhept-2-ene

6-methyl-1-propylsulfanylhept-2-ene (PubChem CID 91067684) has the molecular formula C11H22S and a molecular weight of 186.36 g/mol. Its IUPAC name is 6-methyl-1-propylsulfanylhept-2-ene.

Molecular Properties

Compound Name6-methyl-1-propylsulfanylhept-2-ene
PubChem CID91067684
Molecular FormulaC11H22S
Molecular Weight186.36 g/mol
Exact Mass186.14
IUPAC Name6-methyl-1-propylsulfanylhept-2-ene
SMILESCCCSCC=CCCC(C)C
InChIInChI=1S/C11H22S/c1-4-9-12-10-7-5-6-8-11(2)3/h5,7,11H,4,6,8-10H2,1-3H3
InChIKeyAPYCECCRVAZQTE-UHFFFAOYSA-N
XLogP4.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.36
LogP ≤ 54.12
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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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-propylsulfanylhept-2-ene?
The IUPAC name of 6-methyl-1-propylsulfanylhept-2-ene (CID 91067684) is 6-methyl-1-propylsulfanylhept-2-ene.
What is the SMILES notation for 6-methyl-1-propylsulfanylhept-2-ene?
The canonical SMILES for 6-methyl-1-propylsulfanylhept-2-ene is CCCSCC=CCCC(C)C.
What is the InChIKey of 6-methyl-1-propylsulfanylhept-2-ene?
The InChIKey is APYCECCRVAZQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22S/c1-4-9-12-10-7-5-6-8-11(2)3/h5,7,11H,4,6,8-10H2,1-3H3.
What are the key properties of 6-methyl-1-propylsulfanylhept-2-ene?
6-methyl-1-propylsulfanylhept-2-ene has a molecular weight of 186.36 g/mol, XLogP of 4.12, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-propylsulfanylhept-2-ene is sourced from PubChem (CID 91067684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).