(Z)-6-methyl-1-propan-2-ylsulfanylhept-3-ene

C11H22S — CID 59855752

IUPAC(Z)-6-methyl-1-propan-2-ylsulfanylhept-3-ene
SMILESCC(C)C/C=C\CCSC(C)C
InChIInChI=1S/C11H22S/c1-10(2)8-6-5-7-9-12-11(3)4/h5-6,10-11H,7-9H2,1-4H3/b6-5-
InChIKeyLSNNAXUCLXYCHR-WAYWQWQTSA-N
MW186.36 g/mol
LogP4.12
Rot. Bonds6

About (Z)-6-methyl-1-propan-2-ylsulfanylhept-3-ene

(Z)-6-methyl-1-propan-2-ylsulfanylhept-3-ene (PubChem CID 59855752) has the molecular formula C11H22S and a molecular weight of 186.36 g/mol. Its IUPAC name is (Z)-6-methyl-1-propan-2-ylsulfanylhept-3-ene.

Molecular Properties

Compound Name(Z)-6-methyl-1-propan-2-ylsulfanylhept-3-ene
PubChem CID59855752
Molecular FormulaC11H22S
Molecular Weight186.36 g/mol
Exact Mass186.14
IUPAC Name(Z)-6-methyl-1-propan-2-ylsulfanylhept-3-ene
SMILESCC(C)C/C=C\CCSC(C)C
InChIInChI=1S/C11H22S/c1-10(2)8-6-5-7-9-12-11(3)4/h5-6,10-11H,7-9H2,1-4H3/b6-5-
InChIKeyLSNNAXUCLXYCHR-WAYWQWQTSA-N
XLogP4.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
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 (Z)-6-methyl-1-propan-2-ylsulfanylhept-3-ene?
The IUPAC name of (Z)-6-methyl-1-propan-2-ylsulfanylhept-3-ene (CID 59855752) is (Z)-6-methyl-1-propan-2-ylsulfanylhept-3-ene.
What is the SMILES notation for (Z)-6-methyl-1-propan-2-ylsulfanylhept-3-ene?
The canonical SMILES for (Z)-6-methyl-1-propan-2-ylsulfanylhept-3-ene is CC(C)C/C=C\CCSC(C)C.
What is the InChIKey of (Z)-6-methyl-1-propan-2-ylsulfanylhept-3-ene?
The InChIKey is LSNNAXUCLXYCHR-WAYWQWQTSA-N. The full InChI is InChI=1S/C11H22S/c1-10(2)8-6-5-7-9-12-11(3)4/h5-6,10-11H,7-9H2,1-4H3/b6-5-.
What are the key properties of (Z)-6-methyl-1-propan-2-ylsulfanylhept-3-ene?
(Z)-6-methyl-1-propan-2-ylsulfanylhept-3-ene has a molecular weight of 186.36 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-methyl-1-propan-2-ylsulfanylhept-3-ene is sourced from PubChem (CID 59855752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).