non-8-yne-3,6-diol

C9H16O2 — CID 141036935

IUPACnon-8-yne-3,6-diol
SMILESC#CCC(O)CCC(O)CC
InChIInChI=1S/C9H16O2/c1-3-5-9(11)7-6-8(10)4-2/h1,8-11H,4-7H2,2H3
InChIKeyLDFXXVNARWRTPL-UHFFFAOYSA-N
MW156.22 g/mol
LogP0.92
Rot. Bonds5

About non-8-yne-3,6-diol

non-8-yne-3,6-diol (PubChem CID 141036935) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is non-8-yne-3,6-diol.

Molecular Properties

Compound Namenon-8-yne-3,6-diol
PubChem CID141036935
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Namenon-8-yne-3,6-diol
SMILESC#CCC(O)CCC(O)CC
InChIInChI=1S/C9H16O2/c1-3-5-9(11)7-6-8(10)4-2/h1,8-11H,4-7H2,2H3
InChIKeyLDFXXVNARWRTPL-UHFFFAOYSA-N
XLogP0.92
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tetradecane-3,6,9,12-tetrol
CID 57081340
undecane-3,6,9-triol
CID 57025994
hept-6-yne-1,4-diol
CID 106677963
4-hydroxyhept-6-ynoic acid
CID 55299360
(4R)-5-ethylhept-1-yn-4-ol
CID 130123346
hexan-3-ol
CID 12178
nonane-3,7-diol
CID 22141483
ethyl (5R)-5-hydroxyoct-7-ynoate
CID 101251677
pentan-3-ol
CID 11428
hexan-3-ol;λ2-plumbane
CID 174675580
(3S,5R,8R,10S)-dodecane-3,5,8,10-tetrol
CID 59068921
1-(prop-2-ynylamino)butan-2-ol
CID 60885196

Frequently Asked Questions

What is the IUPAC name of non-8-yne-3,6-diol?
The IUPAC name of non-8-yne-3,6-diol (CID 141036935) is non-8-yne-3,6-diol.
What is the SMILES notation for non-8-yne-3,6-diol?
The canonical SMILES for non-8-yne-3,6-diol is C#CCC(O)CCC(O)CC.
What is the InChIKey of non-8-yne-3,6-diol?
The InChIKey is LDFXXVNARWRTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-5-9(11)7-6-8(10)4-2/h1,8-11H,4-7H2,2H3.
What are the key properties of non-8-yne-3,6-diol?
non-8-yne-3,6-diol has a molecular weight of 156.22 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for non-8-yne-3,6-diol is sourced from PubChem (CID 141036935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).