6,8-dimethylnon-7-en-1-ol;propanoic acid

C14H28O3 — CID 87611483

IUPAC6,8-dimethylnon-7-en-1-ol;propanoic acid
SMILESCC(C)=CC(C)CCCCCO.CCC(=O)O
InChIInChI=1S/C11H22O.C3H6O2/c1-10(2)9-11(3)7-5-4-6-8-12;1-2-3(4)5/h9,11-12H,4-8H2,1-3H3;2H2,1H3,(H,4,5)
InChIKeyMVUXMZCOKRTWJC-UHFFFAOYSA-N
MW244.37 g/mol
LogP3.62
Rot. Bonds7

About 6,8-dimethylnon-7-en-1-ol;propanoic acid

6,8-dimethylnon-7-en-1-ol;propanoic acid (PubChem CID 87611483) has the molecular formula C14H28O3 and a molecular weight of 244.37 g/mol. Its IUPAC name is 6,8-dimethylnon-7-en-1-ol;propanoic acid.

Molecular Properties

Compound Name6,8-dimethylnon-7-en-1-ol;propanoic acid
PubChem CID87611483
Molecular FormulaC14H28O3
Molecular Weight244.37 g/mol
Exact Mass244.20
IUPAC Name6,8-dimethylnon-7-en-1-ol;propanoic acid
SMILESCC(C)=CC(C)CCCCCO.CCC(=O)O
InChIInChI=1S/C11H22O.C3H6O2/c1-10(2)9-11(3)7-5-4-6-8-12;1-2-3(4)5/h9,11-12H,4-8H2,1-3H3;2H2,1H3,(H,4,5)
InChIKeyMVUXMZCOKRTWJC-UHFFFAOYSA-N
XLogP3.62
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.37
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethyldec-2-ene
CID 522542
hexane-1,6-diol;propanoic acid
CID 87606628
propanoic acid;tridecane-1,13-diol
CID 175109427
hexane-1,5-diol;propanoic acid
CID 175133260
6,8-dimethylnon-7-enyl acetate
CID 87610807
(E)-2-acetyl-4-methyltridec-2-enoic acid
CID 134540683
15-hydroxy-2-methylpentadecanal
CID 140839749
9-hydroxy-2-methylnonanal
CID 140839746
acetic acid;9-methylundecan-1-ol
CID 71407241
octadecan-1-ol;propanoic acid
CID 158858583
acetic acid;9-methyldodecan-1-ol
CID 71407240
(2S)-6-hydroxy-2-methylhexanal
CID 129362666

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethylnon-7-en-1-ol;propanoic acid?
The IUPAC name of 6,8-dimethylnon-7-en-1-ol;propanoic acid (CID 87611483) is 6,8-dimethylnon-7-en-1-ol;propanoic acid.
What is the SMILES notation for 6,8-dimethylnon-7-en-1-ol;propanoic acid?
The canonical SMILES for 6,8-dimethylnon-7-en-1-ol;propanoic acid is CC(C)=CC(C)CCCCCO.CCC(=O)O.
What is the InChIKey of 6,8-dimethylnon-7-en-1-ol;propanoic acid?
The InChIKey is MVUXMZCOKRTWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O.C3H6O2/c1-10(2)9-11(3)7-5-4-6-8-12;1-2-3(4)5/h9,11-12H,4-8H2,1-3H3;2H2,1H3,(H,4,5).
What are the key properties of 6,8-dimethylnon-7-en-1-ol;propanoic acid?
6,8-dimethylnon-7-en-1-ol;propanoic acid has a molecular weight of 244.37 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethylnon-7-en-1-ol;propanoic acid is sourced from PubChem (CID 87611483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).