(7R,8R)-pentadeca-2,4-diyne-1,7,8-triol

C15H24O3 — CID 46185437

IUPAC(7R,8R)-pentadeca-2,4-diyne-1,7,8-triol
SMILESCCCCCCC[C@@H](O)[C@H](O)CC#CC#CCO
InChIInChI=1S/C15H24O3/c1-2-3-4-5-8-11-14(17)15(18)12-9-6-7-10-13-16/h14-18H,2-5,8,11-13H2,1H3/t14-,15-/m1/s1
InChIKeyYTOCIIZDSJBVOI-HUUCEWRRSA-N
MW252.35 g/mol
LogP1.46
Rot. Bonds8

About (7R,8R)-pentadeca-2,4-diyne-1,7,8-triol

(7R,8R)-pentadeca-2,4-diyne-1,7,8-triol (PubChem CID 46185437) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is (7R,8R)-pentadeca-2,4-diyne-1,7,8-triol.

Molecular Properties

Compound Name(7R,8R)-pentadeca-2,4-diyne-1,7,8-triol
PubChem CID46185437
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name(7R,8R)-pentadeca-2,4-diyne-1,7,8-triol
SMILESCCCCCCC[C@@H](O)[C@H](O)CC#CC#CCO
InChIInChI=1S/C15H24O3/c1-2-3-4-5-8-11-14(17)15(18)12-9-6-7-10-13-16/h14-18H,2-5,8,11-13H2,1H3/t14-,15-/m1/s1
InChIKeyYTOCIIZDSJBVOI-HUUCEWRRSA-N
XLogP1.46
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

(9S,10S)-9,10-dihydroxyheptadeca-4,6-diyn-3-one
CID 163076687
(3R,9R,10S)-heptadec-1-en-4,6-diyne-3,9,10-triol
CID 95359672
nonacosane-14,15-diol
CID 91509633
dodeca-2,4-diyn-1-ol
CID 11816199
(1R,7R,8R)-1-phenylpentadeca-2,4-diyne-1,7,8-triol
CID 46185433
(8S,9S,12R,13R)-icosane-8,9,12,13-tetrol
CID 88872017
(3R,4R)-3,4-dihydroxypentadecanenitrile
CID 101348411
(2R,3R)-undecane-1,2,3-triol
CID 15641124
(2S,3S)-decane-1,2,3-triol
CID 12619492
undec-2-yne-1,5-diol
CID 14791778
pentacos-16-en-2,4-diyne-1,6,7,8-tetrol
CID 78106175
pentadecane-4,5-diol
CID 103454846

Frequently Asked Questions

What is the IUPAC name of (7R,8R)-pentadeca-2,4-diyne-1,7,8-triol?
The IUPAC name of (7R,8R)-pentadeca-2,4-diyne-1,7,8-triol (CID 46185437) is (7R,8R)-pentadeca-2,4-diyne-1,7,8-triol.
What is the SMILES notation for (7R,8R)-pentadeca-2,4-diyne-1,7,8-triol?
The canonical SMILES for (7R,8R)-pentadeca-2,4-diyne-1,7,8-triol is CCCCCCC[C@@H](O)[C@H](O)CC#CC#CCO.
What is the InChIKey of (7R,8R)-pentadeca-2,4-diyne-1,7,8-triol?
The InChIKey is YTOCIIZDSJBVOI-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H24O3/c1-2-3-4-5-8-11-14(17)15(18)12-9-6-7-10-13-16/h14-18H,2-5,8,11-13H2,1H3/t14-,15-/m1/s1.
What are the key properties of (7R,8R)-pentadeca-2,4-diyne-1,7,8-triol?
(7R,8R)-pentadeca-2,4-diyne-1,7,8-triol has a molecular weight of 252.35 g/mol, XLogP of 1.46, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8R)-pentadeca-2,4-diyne-1,7,8-triol is sourced from PubChem (CID 46185437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).