8-methyl-4-sulfanylnonanoic acid

C10H20O2S — CID 19920809

IUPAC8-methyl-4-sulfanylnonanoic acid
SMILESCC(C)CCCC(S)CCC(=O)O
InChIInChI=1S/C10H20O2S/c1-8(2)4-3-5-9(13)6-7-10(11)12/h8-9,13H,3-7H2,1-2H3,(H,11,12)
InChIKeyLBQKVPGVNKCIEH-UHFFFAOYSA-N
MW204.33 g/mol
LogP2.98
Rot. Bonds7

About 8-methyl-4-sulfanylnonanoic acid

8-methyl-4-sulfanylnonanoic acid (PubChem CID 19920809) has the molecular formula C10H20O2S and a molecular weight of 204.33 g/mol. Its IUPAC name is 8-methyl-4-sulfanylnonanoic acid.

Molecular Properties

Compound Name8-methyl-4-sulfanylnonanoic acid
PubChem CID19920809
Molecular FormulaC10H20O2S
Molecular Weight204.33 g/mol
Exact Mass204.12
IUPAC Name8-methyl-4-sulfanylnonanoic acid
SMILESCC(C)CCCC(S)CCC(=O)O
InChIInChI=1S/C10H20O2S/c1-8(2)4-3-5-9(13)6-7-10(11)12/h8-9,13H,3-7H2,1-2H3,(H,11,12)
InChIKeyLBQKVPGVNKCIEH-UHFFFAOYSA-N
XLogP2.98
TPSA37.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.33
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4,7-bis(sulfanyl)heptanoic acid
CID 87537007
4-sulfanyldecanoic acid
CID 57100118
6-methylheptanoic acid;vanadium
CID 174623955
λ2-plumbane;6-methylheptanoic acid
CID 175289081
gadolinium;tris(6-methylheptanoic acid)
CID 176895771
16-methylheptadecanoic acid
CID 87200881
magnesium;hydride;4-methylpentanoic acid
CID 174689724
azane;16-methylheptadecanoic acid
CID 161380406
8-methylnonanoic acid;zinc
CID 175431403
copper;6-methylheptanoic acid;7-methyloctanoic acid
CID 170842842
iron;6-methylheptanoic acid;7-methyloctanoic acid
CID 56844011
sodium;hydride;6-methylheptanoic acid
CID 174475906

Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-sulfanylnonanoic acid?
The IUPAC name of 8-methyl-4-sulfanylnonanoic acid (CID 19920809) is 8-methyl-4-sulfanylnonanoic acid.
What is the SMILES notation for 8-methyl-4-sulfanylnonanoic acid?
The canonical SMILES for 8-methyl-4-sulfanylnonanoic acid is CC(C)CCCC(S)CCC(=O)O.
What is the InChIKey of 8-methyl-4-sulfanylnonanoic acid?
The InChIKey is LBQKVPGVNKCIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2S/c1-8(2)4-3-5-9(13)6-7-10(11)12/h8-9,13H,3-7H2,1-2H3,(H,11,12).
What are the key properties of 8-methyl-4-sulfanylnonanoic acid?
8-methyl-4-sulfanylnonanoic acid has a molecular weight of 204.33 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4-sulfanylnonanoic acid is sourced from PubChem (CID 19920809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).