[(4R)-4,8-dimethylnonyl] sulfate

C11H23O4S- — CID 24796507

IUPAC[(4R)-4,8-dimethylnonyl] sulfate
SMILESCC(C)CCC[C@@H](C)CCCOS(=O)(=O)[O-]
InChIInChI=1S/C11H24O4S/c1-10(2)6-4-7-11(3)8-5-9-15-16(12,13)14/h10-11H,4-9H2,1-3H3,(H,12,13,14)/p-1/t11-/m1/s1
InChIKeyFCHHMBXKFHPMFQ-LLVKDONJSA-M
MW251.37 g/mol
LogP2.71
Rot. Bonds9

About [(4R)-4,8-dimethylnonyl] sulfate

[(4R)-4,8-dimethylnonyl] sulfate (PubChem CID 24796507) has the molecular formula C11H23O4S- and a molecular weight of 251.37 g/mol. Its IUPAC name is [(4R)-4,8-dimethylnonyl] sulfate.

Molecular Properties

Compound Name[(4R)-4,8-dimethylnonyl] sulfate
PubChem CID24796507
Molecular FormulaC11H23O4S-
Molecular Weight251.37 g/mol
Exact Mass251.13
IUPAC Name[(4R)-4,8-dimethylnonyl] sulfate
SMILESCC(C)CCC[C@@H](C)CCCOS(=O)(=O)[O-]
InChIInChI=1S/C11H24O4S/c1-10(2)6-4-7-11(3)8-5-9-15-16(12,13)14/h10-11H,4-9H2,1-3H3,(H,12,13,14)/p-1/t11-/m1/s1
InChIKeyFCHHMBXKFHPMFQ-LLVKDONJSA-M
XLogP2.71
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(4R)-4,8-dimethylnonyl] sulfate?
The IUPAC name of [(4R)-4,8-dimethylnonyl] sulfate (CID 24796507) is [(4R)-4,8-dimethylnonyl] sulfate.
What is the SMILES notation for [(4R)-4,8-dimethylnonyl] sulfate?
The canonical SMILES for [(4R)-4,8-dimethylnonyl] sulfate is CC(C)CCC[C@@H](C)CCCOS(=O)(=O)[O-].
What is the InChIKey of [(4R)-4,8-dimethylnonyl] sulfate?
The InChIKey is FCHHMBXKFHPMFQ-LLVKDONJSA-M. The full InChI is InChI=1S/C11H24O4S/c1-10(2)6-4-7-11(3)8-5-9-15-16(12,13)14/h10-11H,4-9H2,1-3H3,(H,12,13,14)/p-1/t11-/m1/s1.
What are the key properties of [(4R)-4,8-dimethylnonyl] sulfate?
[(4R)-4,8-dimethylnonyl] sulfate has a molecular weight of 251.37 g/mol, XLogP of 2.71, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4,8-dimethylnonyl] sulfate is sourced from PubChem (CID 24796507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).