carbon dioxide;(E,4R)-4-propylnon-6-en-1-ol

C13H24O3 — CID 157225667

IUPACcarbon dioxide;(E,4R)-4-propylnon-6-en-1-ol
SMILESCC/C=C/CC(CCC)CCCO.O=C=O
InChIInChI=1S/C12H24O.CO2/c1-3-5-6-9-12(8-4-2)10-7-11-13;2-1-3/h5-6,12-13H,3-4,7-11H2,1-2H3;/b6-5+;
InChIKeyATMVZRWJRDLPAZ-IPZCTEOASA-N
MW228.33 g/mol
LogP2.95
Rot. Bonds8

About carbon dioxide;(E,4R)-4-propylnon-6-en-1-ol

carbon dioxide;(E,4R)-4-propylnon-6-en-1-ol (PubChem CID 157225667) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is carbon dioxide;(E,4R)-4-propylnon-6-en-1-ol.

Molecular Properties

Compound Namecarbon dioxide;(E,4R)-4-propylnon-6-en-1-ol
PubChem CID157225667
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Namecarbon dioxide;(E,4R)-4-propylnon-6-en-1-ol
SMILESCC/C=C/CC(CCC)CCCO.O=C=O
InChIInChI=1S/C12H24O.CO2/c1-3-5-6-9-12(8-4-2)10-7-11-13;2-1-3/h5-6,12-13H,3-4,7-11H2,1-2H3;/b6-5+;
InChIKeyATMVZRWJRDLPAZ-IPZCTEOASA-N
XLogP2.95
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 carbon dioxide;(E,4R)-4-propylnon-6-en-1-ol?
The IUPAC name of carbon dioxide;(E,4R)-4-propylnon-6-en-1-ol (CID 157225667) is carbon dioxide;(E,4R)-4-propylnon-6-en-1-ol.
What is the SMILES notation for carbon dioxide;(E,4R)-4-propylnon-6-en-1-ol?
The canonical SMILES for carbon dioxide;(E,4R)-4-propylnon-6-en-1-ol is CC/C=C/CC(CCC)CCCO.O=C=O.
What is the InChIKey of carbon dioxide;(E,4R)-4-propylnon-6-en-1-ol?
The InChIKey is ATMVZRWJRDLPAZ-IPZCTEOASA-N. The full InChI is InChI=1S/C12H24O.CO2/c1-3-5-6-9-12(8-4-2)10-7-11-13;2-1-3/h5-6,12-13H,3-4,7-11H2,1-2H3;/b6-5+;.
What are the key properties of carbon dioxide;(E,4R)-4-propylnon-6-en-1-ol?
carbon dioxide;(E,4R)-4-propylnon-6-en-1-ol has a molecular weight of 228.33 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;(E,4R)-4-propylnon-6-en-1-ol is sourced from PubChem (CID 157225667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).