4-methyl-4-prop-2-enylnon-1-en-5-ol

C13H24O — CID 89309228

IUPAC4-methyl-4-prop-2-enylnon-1-en-5-ol
SMILESC=CCC(C)(CC=C)C(O)CCCC
InChIInChI=1S/C13H24O/c1-5-8-9-12(14)13(4,10-6-2)11-7-3/h6-7,12,14H,2-3,5,8-11H2,1,4H3
InChIKeyKEVJIFJHDOCXLU-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.70
Rot. Bonds8

About 4-methyl-4-prop-2-enylnon-1-en-5-ol

4-methyl-4-prop-2-enylnon-1-en-5-ol (PubChem CID 89309228) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 4-methyl-4-prop-2-enylnon-1-en-5-ol.

Molecular Properties

Compound Name4-methyl-4-prop-2-enylnon-1-en-5-ol
PubChem CID89309228
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name4-methyl-4-prop-2-enylnon-1-en-5-ol
SMILESC=CCC(C)(CC=C)C(O)CCCC
InChIInChI=1S/C13H24O/c1-5-8-9-12(14)13(4,10-6-2)11-7-3/h6-7,12,14H,2-3,5,8-11H2,1,4H3
InChIKeyKEVJIFJHDOCXLU-UHFFFAOYSA-N
XLogP3.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.70
H-Bond Donors ≤ 51
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 4-methyl-4-prop-2-enylnon-1-en-5-ol?
The IUPAC name of 4-methyl-4-prop-2-enylnon-1-en-5-ol (CID 89309228) is 4-methyl-4-prop-2-enylnon-1-en-5-ol.
What is the SMILES notation for 4-methyl-4-prop-2-enylnon-1-en-5-ol?
The canonical SMILES for 4-methyl-4-prop-2-enylnon-1-en-5-ol is C=CCC(C)(CC=C)C(O)CCCC.
What is the InChIKey of 4-methyl-4-prop-2-enylnon-1-en-5-ol?
The InChIKey is KEVJIFJHDOCXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-5-8-9-12(14)13(4,10-6-2)11-7-3/h6-7,12,14H,2-3,5,8-11H2,1,4H3.
What are the key properties of 4-methyl-4-prop-2-enylnon-1-en-5-ol?
4-methyl-4-prop-2-enylnon-1-en-5-ol has a molecular weight of 196.33 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-prop-2-enylnon-1-en-5-ol is sourced from PubChem (CID 89309228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).