4-(2-methylpropyl)-8-methylsulfanylnon-4-en-1-ol

C14H28OS — CID 123185507

IUPAC4-(2-methylpropyl)-8-methylsulfanylnon-4-en-1-ol
SMILESCSC(C)CCC=C(CCCO)CC(C)C
InChIInChI=1S/C14H28OS/c1-12(2)11-14(9-6-10-15)8-5-7-13(3)16-4/h8,12-13,15H,5-7,9-11H2,1-4H3
InChIKeyBSAVFANPURJXTK-UHFFFAOYSA-N
MW244.44 g/mol
LogP4.26
Rot. Bonds9

About 4-(2-methylpropyl)-8-methylsulfanylnon-4-en-1-ol

4-(2-methylpropyl)-8-methylsulfanylnon-4-en-1-ol (PubChem CID 123185507) has the molecular formula C14H28OS and a molecular weight of 244.44 g/mol. Its IUPAC name is 4-(2-methylpropyl)-8-methylsulfanylnon-4-en-1-ol.

Molecular Properties

Compound Name4-(2-methylpropyl)-8-methylsulfanylnon-4-en-1-ol
PubChem CID123185507
Molecular FormulaC14H28OS
Molecular Weight244.44 g/mol
Exact Mass244.19
IUPAC Name4-(2-methylpropyl)-8-methylsulfanylnon-4-en-1-ol
SMILESCSC(C)CCC=C(CCCO)CC(C)C
InChIInChI=1S/C14H28OS/c1-12(2)11-14(9-6-10-15)8-5-7-13(3)16-4/h8,12-13,15H,5-7,9-11H2,1-4H3
InChIKeyBSAVFANPURJXTK-UHFFFAOYSA-N
XLogP4.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.44
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-(2-methylpropyl)-8-methylsulfanylnon-4-en-1-ol?
The IUPAC name of 4-(2-methylpropyl)-8-methylsulfanylnon-4-en-1-ol (CID 123185507) is 4-(2-methylpropyl)-8-methylsulfanylnon-4-en-1-ol.
What is the SMILES notation for 4-(2-methylpropyl)-8-methylsulfanylnon-4-en-1-ol?
The canonical SMILES for 4-(2-methylpropyl)-8-methylsulfanylnon-4-en-1-ol is CSC(C)CCC=C(CCCO)CC(C)C.
What is the InChIKey of 4-(2-methylpropyl)-8-methylsulfanylnon-4-en-1-ol?
The InChIKey is BSAVFANPURJXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28OS/c1-12(2)11-14(9-6-10-15)8-5-7-13(3)16-4/h8,12-13,15H,5-7,9-11H2,1-4H3.
What are the key properties of 4-(2-methylpropyl)-8-methylsulfanylnon-4-en-1-ol?
4-(2-methylpropyl)-8-methylsulfanylnon-4-en-1-ol has a molecular weight of 244.44 g/mol, XLogP of 4.26, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-8-methylsulfanylnon-4-en-1-ol is sourced from PubChem (CID 123185507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).