(Z)-1-ethylsulfanyl-5-methylhex-2-ene

C9H18S — CID 88926998

IUPAC(Z)-1-ethylsulfanyl-5-methylhex-2-ene
SMILESCCSC/C=C\CC(C)C
InChIInChI=1S/C9H18S/c1-4-10-8-6-5-7-9(2)3/h5-6,9H,4,7-8H2,1-3H3/b6-5-
InChIKeyNKXIHQYYEKHXGQ-WAYWQWQTSA-N
MW158.31 g/mol
LogP3.34
Rot. Bonds5

About (Z)-1-ethylsulfanyl-5-methylhex-2-ene

(Z)-1-ethylsulfanyl-5-methylhex-2-ene (PubChem CID 88926998) has the molecular formula C9H18S and a molecular weight of 158.31 g/mol. Its IUPAC name is (Z)-1-ethylsulfanyl-5-methylhex-2-ene.

Molecular Properties

Compound Name(Z)-1-ethylsulfanyl-5-methylhex-2-ene
PubChem CID88926998
Molecular FormulaC9H18S
Molecular Weight158.31 g/mol
Exact Mass158.11
IUPAC Name(Z)-1-ethylsulfanyl-5-methylhex-2-ene
SMILESCCSC/C=C\CC(C)C
InChIInChI=1S/C9H18S/c1-4-10-8-6-5-7-9(2)3/h5-6,9H,4,7-8H2,1-3H3/b6-5-
InChIKeyNKXIHQYYEKHXGQ-WAYWQWQTSA-N
XLogP3.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.31
LogP ≤ 53.34
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)-1-ethylsulfanyl-5-methylhex-2-ene?
The IUPAC name of (Z)-1-ethylsulfanyl-5-methylhex-2-ene (CID 88926998) is (Z)-1-ethylsulfanyl-5-methylhex-2-ene.
What is the SMILES notation for (Z)-1-ethylsulfanyl-5-methylhex-2-ene?
The canonical SMILES for (Z)-1-ethylsulfanyl-5-methylhex-2-ene is CCSC/C=C\CC(C)C.
What is the InChIKey of (Z)-1-ethylsulfanyl-5-methylhex-2-ene?
The InChIKey is NKXIHQYYEKHXGQ-WAYWQWQTSA-N. The full InChI is InChI=1S/C9H18S/c1-4-10-8-6-5-7-9(2)3/h5-6,9H,4,7-8H2,1-3H3/b6-5-.
What are the key properties of (Z)-1-ethylsulfanyl-5-methylhex-2-ene?
(Z)-1-ethylsulfanyl-5-methylhex-2-ene has a molecular weight of 158.31 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-ethylsulfanyl-5-methylhex-2-ene is sourced from PubChem (CID 88926998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).