(3S,4S,5S)-3,4-dimethyl-5-methylsulfanylnon-1-ene

C12H24S — CID 10910550

IUPAC(3S,4S,5S)-3,4-dimethyl-5-methylsulfanylnon-1-ene
SMILESC=C[C@H](C)[C@H](C)[C@H](CCCC)SC
InChIInChI=1S/C12H24S/c1-6-8-9-12(13-5)11(4)10(3)7-2/h7,10-12H,2,6,8-9H2,1,3-5H3/t10-,11-,12-/m0/s1
InChIKeyINAIIUCAXNKNPU-SRVKXCTJSA-N
MW200.39 g/mol
LogP4.37
Rot. Bonds7

About (3S,4S,5S)-3,4-dimethyl-5-methylsulfanylnon-1-ene

(3S,4S,5S)-3,4-dimethyl-5-methylsulfanylnon-1-ene (PubChem CID 10910550) has the molecular formula C12H24S and a molecular weight of 200.39 g/mol. Its IUPAC name is (3S,4S,5S)-3,4-dimethyl-5-methylsulfanylnon-1-ene.

Molecular Properties

Compound Name(3S,4S,5S)-3,4-dimethyl-5-methylsulfanylnon-1-ene
PubChem CID10910550
Molecular FormulaC12H24S
Molecular Weight200.39 g/mol
Exact Mass200.16
IUPAC Name(3S,4S,5S)-3,4-dimethyl-5-methylsulfanylnon-1-ene
SMILESC=C[C@H](C)[C@H](C)[C@H](CCCC)SC
InChIInChI=1S/C12H24S/c1-6-8-9-12(13-5)11(4)10(3)7-2/h7,10-12H,2,6,8-9H2,1,3-5H3/t10-,11-,12-/m0/s1
InChIKeyINAIIUCAXNKNPU-SRVKXCTJSA-N
XLogP4.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.39
LogP ≤ 54.37
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 (3S,4S,5S)-3,4-dimethyl-5-methylsulfanylnon-1-ene?
The IUPAC name of (3S,4S,5S)-3,4-dimethyl-5-methylsulfanylnon-1-ene (CID 10910550) is (3S,4S,5S)-3,4-dimethyl-5-methylsulfanylnon-1-ene.
What is the SMILES notation for (3S,4S,5S)-3,4-dimethyl-5-methylsulfanylnon-1-ene?
The canonical SMILES for (3S,4S,5S)-3,4-dimethyl-5-methylsulfanylnon-1-ene is C=C[C@H](C)[C@H](C)[C@H](CCCC)SC.
What is the InChIKey of (3S,4S,5S)-3,4-dimethyl-5-methylsulfanylnon-1-ene?
The InChIKey is INAIIUCAXNKNPU-SRVKXCTJSA-N. The full InChI is InChI=1S/C12H24S/c1-6-8-9-12(13-5)11(4)10(3)7-2/h7,10-12H,2,6,8-9H2,1,3-5H3/t10-,11-,12-/m0/s1.
What are the key properties of (3S,4S,5S)-3,4-dimethyl-5-methylsulfanylnon-1-ene?
(3S,4S,5S)-3,4-dimethyl-5-methylsulfanylnon-1-ene has a molecular weight of 200.39 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5S)-3,4-dimethyl-5-methylsulfanylnon-1-ene is sourced from PubChem (CID 10910550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).