nonane-1,9-diol

C9H20O2 — CID 19835

IUPACnonane-1,9-diol
SMILESOCCCCCCCCCO
InChIInChI=1S/C9H20O2/c10-8-6-4-2-1-3-5-7-9-11/h10-11H,1-9H2
InChIKeyALVZNPYWJMLXKV-UHFFFAOYSA-N
MW160.26 g/mol
LogP1.70
Rot. Bonds8

About nonane-1,9-diol

nonane-1,9-diol (PubChem CID 19835) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is nonane-1,9-diol.

Molecular Properties

Compound Namenonane-1,9-diol
PubChem CID19835
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Namenonane-1,9-diol
SMILESOCCCCCCCCCO
InChIInChI=1S/C9H20O2/c10-8-6-4-2-1-3-5-7-9-11/h10-11H,1-9H2
InChIKeyALVZNPYWJMLXKV-UHFFFAOYSA-N
XLogP1.70
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of nonane-1,9-diol?
The IUPAC name of nonane-1,9-diol (CID 19835) is nonane-1,9-diol.
What is the SMILES notation for nonane-1,9-diol?
The canonical SMILES for nonane-1,9-diol is OCCCCCCCCCO.
What is the InChIKey of nonane-1,9-diol?
The InChIKey is ALVZNPYWJMLXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c10-8-6-4-2-1-3-5-7-9-11/h10-11H,1-9H2.
What are the key properties of nonane-1,9-diol?
nonane-1,9-diol has a molecular weight of 160.26 g/mol, XLogP of 1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nonane-1,9-diol is sourced from PubChem (CID 19835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).