(Z)-4-ethyl-6-methyl-5-methylsulfanylhept-2-ene

C11H22S — CID 130287962

IUPAC(Z)-4-ethyl-6-methyl-5-methylsulfanylhept-2-ene
SMILESC/C=C\C(CC)C(SC)C(C)C
InChIInChI=1S/C11H22S/c1-6-8-10(7-2)11(12-5)9(3)4/h6,8-11H,7H2,1-5H3/b8-6-
InChIKeyRWQBPSWVKBZWQR-VURMDHGXSA-N
MW186.36 g/mol
LogP3.98
Rot. Bonds5

About (Z)-4-ethyl-6-methyl-5-methylsulfanylhept-2-ene

(Z)-4-ethyl-6-methyl-5-methylsulfanylhept-2-ene (PubChem CID 130287962) has the molecular formula C11H22S and a molecular weight of 186.36 g/mol. Its IUPAC name is (Z)-4-ethyl-6-methyl-5-methylsulfanylhept-2-ene.

Molecular Properties

Compound Name(Z)-4-ethyl-6-methyl-5-methylsulfanylhept-2-ene
PubChem CID130287962
Molecular FormulaC11H22S
Molecular Weight186.36 g/mol
Exact Mass186.14
IUPAC Name(Z)-4-ethyl-6-methyl-5-methylsulfanylhept-2-ene
SMILESC/C=C\C(CC)C(SC)C(C)C
InChIInChI=1S/C11H22S/c1-6-8-10(7-2)11(12-5)9(3)4/h6,8-11H,7H2,1-5H3/b8-6-
InChIKeyRWQBPSWVKBZWQR-VURMDHGXSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.36
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-ethyl-6-methyl-5-methylsulfanylhept-2-ene?
The IUPAC name of (Z)-4-ethyl-6-methyl-5-methylsulfanylhept-2-ene (CID 130287962) is (Z)-4-ethyl-6-methyl-5-methylsulfanylhept-2-ene.
What is the SMILES notation for (Z)-4-ethyl-6-methyl-5-methylsulfanylhept-2-ene?
The canonical SMILES for (Z)-4-ethyl-6-methyl-5-methylsulfanylhept-2-ene is C/C=C\C(CC)C(SC)C(C)C.
What is the InChIKey of (Z)-4-ethyl-6-methyl-5-methylsulfanylhept-2-ene?
The InChIKey is RWQBPSWVKBZWQR-VURMDHGXSA-N. The full InChI is InChI=1S/C11H22S/c1-6-8-10(7-2)11(12-5)9(3)4/h6,8-11H,7H2,1-5H3/b8-6-.
What are the key properties of (Z)-4-ethyl-6-methyl-5-methylsulfanylhept-2-ene?
(Z)-4-ethyl-6-methyl-5-methylsulfanylhept-2-ene has a molecular weight of 186.36 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-ethyl-6-methyl-5-methylsulfanylhept-2-ene is sourced from PubChem (CID 130287962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).