5-ethyl-2,8-dimethylnona-1,8-dien-5-ol

C13H23O+ — CID 140728939

IUPAC5-ethyl-2,8-dimethylnona-1,8-dien-5-ol
SMILES[H]/[C+]=C(\C)CCC(O)(CC)CCC(=C)C
InChIInChI=1S/C13H23O/c1-6-13(14,9-7-11(2)3)10-8-12(4)5/h2,14H,4,6-10H2,1,3,5H3/q+1
InChIKeyPRCMPHMYKNYQJR-UHFFFAOYSA-N
MW195.33 g/mol
LogP3.64
Rot. Bonds7

About 5-ethyl-2,8-dimethylnona-1,8-dien-5-ol

5-ethyl-2,8-dimethylnona-1,8-dien-5-ol (PubChem CID 140728939) has the molecular formula C13H23O+ and a molecular weight of 195.33 g/mol. Its IUPAC name is 5-ethyl-2,8-dimethylnona-1,8-dien-5-ol.

Molecular Properties

Compound Name5-ethyl-2,8-dimethylnona-1,8-dien-5-ol
PubChem CID140728939
Molecular FormulaC13H23O+
Molecular Weight195.33 g/mol
Exact Mass195.17
IUPAC Name5-ethyl-2,8-dimethylnona-1,8-dien-5-ol
SMILES[H]/[C+]=C(\C)CCC(O)(CC)CCC(=C)C
InChIInChI=1S/C13H23O/c1-6-13(14,9-7-11(2)3)10-8-12(4)5/h2,14H,4,6-10H2,1,3,5H3/q+1
InChIKeyPRCMPHMYKNYQJR-UHFFFAOYSA-N
XLogP3.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,8-dimethylnona-1,8-dien-5-ol?
The IUPAC name of 5-ethyl-2,8-dimethylnona-1,8-dien-5-ol (CID 140728939) is 5-ethyl-2,8-dimethylnona-1,8-dien-5-ol.
What is the SMILES notation for 5-ethyl-2,8-dimethylnona-1,8-dien-5-ol?
The canonical SMILES for 5-ethyl-2,8-dimethylnona-1,8-dien-5-ol is [H]/[C+]=C(\C)CCC(O)(CC)CCC(=C)C.
What is the InChIKey of 5-ethyl-2,8-dimethylnona-1,8-dien-5-ol?
The InChIKey is PRCMPHMYKNYQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23O/c1-6-13(14,9-7-11(2)3)10-8-12(4)5/h2,14H,4,6-10H2,1,3,5H3/q+1.
What are the key properties of 5-ethyl-2,8-dimethylnona-1,8-dien-5-ol?
5-ethyl-2,8-dimethylnona-1,8-dien-5-ol has a molecular weight of 195.33 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,8-dimethylnona-1,8-dien-5-ol is sourced from PubChem (CID 140728939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).