nonane-1,2,3,9-tetrol

C9H20O4 — CID 87488161

IUPACnonane-1,2,3,9-tetrol
SMILESOCCCCCCC(O)C(O)CO
InChIInChI=1S/C9H20O4/c10-6-4-2-1-3-5-8(12)9(13)7-11/h8-13H,1-7H2
InChIKeyGDNJENMSVPFUQC-UHFFFAOYSA-N
MW192.25 g/mol
LogP-0.36
Rot. Bonds8

About nonane-1,2,3,9-tetrol

nonane-1,2,3,9-tetrol (PubChem CID 87488161) has the molecular formula C9H20O4 and a molecular weight of 192.25 g/mol. Its IUPAC name is nonane-1,2,3,9-tetrol.

Molecular Properties

Compound Namenonane-1,2,3,9-tetrol
PubChem CID87488161
Molecular FormulaC9H20O4
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Namenonane-1,2,3,9-tetrol
SMILESOCCCCCCC(O)C(O)CO
InChIInChI=1S/C9H20O4/c10-6-4-2-1-3-5-8(12)9(13)7-11/h8-13H,1-7H2
InChIKeyGDNJENMSVPFUQC-UHFFFAOYSA-N
XLogP-0.36
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 5-0.36
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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CID 57164237
hexane-1,2,3,6-tetrol
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(2S,3S)-decane-1,2,3-triol
CID 12619492
(2R,3R)-undecane-1,2,3-triol
CID 15641124
dodecane-1,6,7,11-tetrol
CID 88790738
1-aminoheptane-1,2,7-triol
CID 87845993
nonane-1,5,6-triol
CID 174941867
9-methyldecane-1,8-diol
CID 107094660
7-methyloctane-1,6-diol
CID 54253773
19,20,21-trihydroxyhenicosanoic acid
CID 54189389
(9R,10R)-9,10,16-trihydroxyhexadecanoic acid
CID 7060884
(9S,10S)-9,10,16-trihydroxyhexadecanoic acid
CID 7269318

Frequently Asked Questions

What is the IUPAC name of nonane-1,2,3,9-tetrol?
The IUPAC name of nonane-1,2,3,9-tetrol (CID 87488161) is nonane-1,2,3,9-tetrol.
What is the SMILES notation for nonane-1,2,3,9-tetrol?
The canonical SMILES for nonane-1,2,3,9-tetrol is OCCCCCCC(O)C(O)CO.
What is the InChIKey of nonane-1,2,3,9-tetrol?
The InChIKey is GDNJENMSVPFUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O4/c10-6-4-2-1-3-5-8(12)9(13)7-11/h8-13H,1-7H2.
What are the key properties of nonane-1,2,3,9-tetrol?
nonane-1,2,3,9-tetrol has a molecular weight of 192.25 g/mol, XLogP of -0.36, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nonane-1,2,3,9-tetrol is sourced from PubChem (CID 87488161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).