heptane-1,7-diol;nonane-1,9-diol

C16H36O4 — CID 174499055

IUPACheptane-1,7-diol;nonane-1,9-diol
SMILESOCCCCCCCCCO.OCCCCCCCO
InChIInChI=1S/C9H20O2.C7H16O2/c10-8-6-4-2-1-3-5-7-9-11;8-6-4-2-1-3-5-7-9/h10-11H,1-9H2;8-9H,1-7H2
InChIKeyFJMGZLRMUCGLFB-UHFFFAOYSA-N
MW292.46 g/mol
LogP2.62
Rot. Bonds14

About heptane-1,7-diol;nonane-1,9-diol

heptane-1,7-diol;nonane-1,9-diol (PubChem CID 174499055) has the molecular formula C16H36O4 and a molecular weight of 292.46 g/mol. Its IUPAC name is heptane-1,7-diol;nonane-1,9-diol.

Molecular Properties

Compound Nameheptane-1,7-diol;nonane-1,9-diol
PubChem CID174499055
Molecular FormulaC16H36O4
Molecular Weight292.46 g/mol
Exact Mass292.26
IUPAC Nameheptane-1,7-diol;nonane-1,9-diol
SMILESOCCCCCCCCCO.OCCCCCCCO
InChIInChI=1S/C9H20O2.C7H16O2/c10-8-6-4-2-1-3-5-7-9-11;8-6-4-2-1-3-5-7-9/h10-11H,1-9H2;8-9H,1-7H2
InChIKeyFJMGZLRMUCGLFB-UHFFFAOYSA-N
XLogP2.62
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.46
LogP ≤ 52.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of heptane-1,7-diol;nonane-1,9-diol?
The IUPAC name of heptane-1,7-diol;nonane-1,9-diol (CID 174499055) is heptane-1,7-diol;nonane-1,9-diol.
What is the SMILES notation for heptane-1,7-diol;nonane-1,9-diol?
The canonical SMILES for heptane-1,7-diol;nonane-1,9-diol is OCCCCCCCCCO.OCCCCCCCO.
What is the InChIKey of heptane-1,7-diol;nonane-1,9-diol?
The InChIKey is FJMGZLRMUCGLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2.C7H16O2/c10-8-6-4-2-1-3-5-7-9-11;8-6-4-2-1-3-5-7-9/h10-11H,1-9H2;8-9H,1-7H2.
What are the key properties of heptane-1,7-diol;nonane-1,9-diol?
heptane-1,7-diol;nonane-1,9-diol has a molecular weight of 292.46 g/mol, XLogP of 2.62, 14 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for heptane-1,7-diol;nonane-1,9-diol is sourced from PubChem (CID 174499055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).