2-methyl-2-methylsulfonyldec-9-en-3-ol

C12H24O3S — CID 107012292

IUPAC2-methyl-2-methylsulfonyldec-9-en-3-ol
SMILESC=CCCCCCC(O)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C12H24O3S/c1-5-6-7-8-9-10-11(13)12(2,3)16(4,14)15/h5,11,13H,1,6-10H2,2-4H3
InChIKeyWSDOZRCDHPNKHQ-UHFFFAOYSA-N
MW248.39 g/mol
LogP2.31
Rot. Bonds8

About 2-methyl-2-methylsulfonyldec-9-en-3-ol

2-methyl-2-methylsulfonyldec-9-en-3-ol (PubChem CID 107012292) has the molecular formula C12H24O3S and a molecular weight of 248.39 g/mol. Its IUPAC name is 2-methyl-2-methylsulfonyldec-9-en-3-ol.

Molecular Properties

Compound Name2-methyl-2-methylsulfonyldec-9-en-3-ol
PubChem CID107012292
Molecular FormulaC12H24O3S
Molecular Weight248.39 g/mol
Exact Mass248.14
IUPAC Name2-methyl-2-methylsulfonyldec-9-en-3-ol
SMILESC=CCCCCCC(O)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C12H24O3S/c1-5-6-7-8-9-10-11(13)12(2,3)16(4,14)15/h5,11,13H,1,6-10H2,2-4H3
InChIKeyWSDOZRCDHPNKHQ-UHFFFAOYSA-N
XLogP2.31
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-methyl-2-methylsulfonyldec-9-en-3-ol?
The IUPAC name of 2-methyl-2-methylsulfonyldec-9-en-3-ol (CID 107012292) is 2-methyl-2-methylsulfonyldec-9-en-3-ol.
What is the SMILES notation for 2-methyl-2-methylsulfonyldec-9-en-3-ol?
The canonical SMILES for 2-methyl-2-methylsulfonyldec-9-en-3-ol is C=CCCCCCC(O)C(C)(C)S(C)(=O)=O.
What is the InChIKey of 2-methyl-2-methylsulfonyldec-9-en-3-ol?
The InChIKey is WSDOZRCDHPNKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3S/c1-5-6-7-8-9-10-11(13)12(2,3)16(4,14)15/h5,11,13H,1,6-10H2,2-4H3.
What are the key properties of 2-methyl-2-methylsulfonyldec-9-en-3-ol?
2-methyl-2-methylsulfonyldec-9-en-3-ol has a molecular weight of 248.39 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-methylsulfonyldec-9-en-3-ol is sourced from PubChem (CID 107012292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).