nona-2,5-diyne-1,9-diol

C9H12O2 — CID 175119403

IUPACnona-2,5-diyne-1,9-diol
SMILESOCC#CCC#CCCCO
InChIInChI=1S/C9H12O2/c10-8-6-4-2-1-3-5-7-9-11/h10-11H,2,5,7-9H2
InChIKeyPMCXDVIOFQAWOM-UHFFFAOYSA-N
MW152.19 g/mol
LogP0.15
Rot. Bonds2

About nona-2,5-diyne-1,9-diol

nona-2,5-diyne-1,9-diol (PubChem CID 175119403) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is nona-2,5-diyne-1,9-diol.

Molecular Properties

Compound Namenona-2,5-diyne-1,9-diol
PubChem CID175119403
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Namenona-2,5-diyne-1,9-diol
SMILESOCC#CCC#CCCCO
InChIInChI=1S/C9H12O2/c10-8-6-4-2-1-3-5-7-9-11/h10-11H,2,5,7-9H2
InChIKeyPMCXDVIOFQAWOM-UHFFFAOYSA-N
XLogP0.15
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

non-2-yne-1,9-diol
CID 10997284
nonadeca-6,9,12-triyne-1,19-diol
CID 171715193
icosa-15,18-diyn-1-ol
CID 160765539
16-hydroxyhexadeca-5,8,11-triynoic acid
CID 123580508
henicosa-3,6,9-triyn-1-ol
CID 23255046
octadec-2-yn-1-ol
CID 2825194
hexadec-2-yn-1-ol
CID 11010038
tricosa-2,5,8,11,14,17,20-heptayn-1-ol
CID 125325775
2-(12-hydroxydodeca-5,8-diynyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione
CID 73388402
dodeca-4,7-diyne
CID 173074460
methyl 9-hydroxynona-4,7-diynoate
CID 11275374
10-hydroxydeca-2,8-diynal
CID 11435128

Frequently Asked Questions

What is the IUPAC name of nona-2,5-diyne-1,9-diol?
The IUPAC name of nona-2,5-diyne-1,9-diol (CID 175119403) is nona-2,5-diyne-1,9-diol.
What is the SMILES notation for nona-2,5-diyne-1,9-diol?
The canonical SMILES for nona-2,5-diyne-1,9-diol is OCC#CCC#CCCCO.
What is the InChIKey of nona-2,5-diyne-1,9-diol?
The InChIKey is PMCXDVIOFQAWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c10-8-6-4-2-1-3-5-7-9-11/h10-11H,2,5,7-9H2.
What are the key properties of nona-2,5-diyne-1,9-diol?
nona-2,5-diyne-1,9-diol has a molecular weight of 152.19 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nona-2,5-diyne-1,9-diol is sourced from PubChem (CID 175119403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).