(6S)-2,6-dimethyl-8-methylsulfanyloct-2-ene

C11H22S — CID 58630601

IUPAC(6S)-2,6-dimethyl-8-methylsulfanyloct-2-ene
SMILESCSCC[C@@H](C)CCC=C(C)C
InChIInChI=1S/C11H22S/c1-10(2)6-5-7-11(3)8-9-12-4/h6,11H,5,7-9H2,1-4H3/t11-/m0/s1
InChIKeyQMRWXZKMMMMLKJ-NSHDSACASA-N
MW186.36 g/mol
LogP4.12
Rot. Bonds6

About (6S)-2,6-dimethyl-8-methylsulfanyloct-2-ene

(6S)-2,6-dimethyl-8-methylsulfanyloct-2-ene (PubChem CID 58630601) has the molecular formula C11H22S and a molecular weight of 186.36 g/mol. Its IUPAC name is (6S)-2,6-dimethyl-8-methylsulfanyloct-2-ene.

Molecular Properties

Compound Name(6S)-2,6-dimethyl-8-methylsulfanyloct-2-ene
PubChem CID58630601
Molecular FormulaC11H22S
Molecular Weight186.36 g/mol
Exact Mass186.14
IUPAC Name(6S)-2,6-dimethyl-8-methylsulfanyloct-2-ene
SMILESCSCC[C@@H](C)CCC=C(C)C
InChIInChI=1S/C11H22S/c1-10(2)6-5-7-11(3)8-9-12-4/h6,11H,5,7-9H2,1-4H3/t11-/m0/s1
InChIKeyQMRWXZKMMMMLKJ-NSHDSACASA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6S)-2,6-dimethyl-8-methylsulfanyloct-2-ene?
The IUPAC name of (6S)-2,6-dimethyl-8-methylsulfanyloct-2-ene (CID 58630601) is (6S)-2,6-dimethyl-8-methylsulfanyloct-2-ene.
What is the SMILES notation for (6S)-2,6-dimethyl-8-methylsulfanyloct-2-ene?
The canonical SMILES for (6S)-2,6-dimethyl-8-methylsulfanyloct-2-ene is CSCC[C@@H](C)CCC=C(C)C.
What is the InChIKey of (6S)-2,6-dimethyl-8-methylsulfanyloct-2-ene?
The InChIKey is QMRWXZKMMMMLKJ-NSHDSACASA-N. The full InChI is InChI=1S/C11H22S/c1-10(2)6-5-7-11(3)8-9-12-4/h6,11H,5,7-9H2,1-4H3/t11-/m0/s1.
What are the key properties of (6S)-2,6-dimethyl-8-methylsulfanyloct-2-ene?
(6S)-2,6-dimethyl-8-methylsulfanyloct-2-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 (6S)-2,6-dimethyl-8-methylsulfanyloct-2-ene is sourced from PubChem (CID 58630601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).