10-(2,3-dihydroxypropoxy)decane-1,1-diol

C13H28O5 — CID 87342423

IUPAC10-(2,3-dihydroxypropoxy)decane-1,1-diol
SMILESOCC(O)COCCCCCCCCCC(O)O
InChIInChI=1S/C13H28O5/c14-10-12(15)11-18-9-7-5-3-1-2-4-6-8-13(16)17/h12-17H,1-11H2
InChIKeyUGPMHXXPASPEQU-UHFFFAOYSA-N
MW264.36 g/mol
LogP0.79
Rot. Bonds13

About 10-(2,3-dihydroxypropoxy)decane-1,1-diol

10-(2,3-dihydroxypropoxy)decane-1,1-diol (PubChem CID 87342423) has the molecular formula C13H28O5 and a molecular weight of 264.36 g/mol. Its IUPAC name is 10-(2,3-dihydroxypropoxy)decane-1,1-diol.

Molecular Properties

Compound Name10-(2,3-dihydroxypropoxy)decane-1,1-diol
PubChem CID87342423
Molecular FormulaC13H28O5
Molecular Weight264.36 g/mol
Exact Mass264.19
IUPAC Name10-(2,3-dihydroxypropoxy)decane-1,1-diol
SMILESOCC(O)COCCCCCCCCCC(O)O
InChIInChI=1S/C13H28O5/c14-10-12(15)11-18-9-7-5-3-1-2-4-6-8-13(16)17/h12-17H,1-11H2
InChIKeyUGPMHXXPASPEQU-UHFFFAOYSA-N
XLogP0.79
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 50.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(12-hydroxydodecoxy)propane-1,2-diol
CID 78063027
3-[2-hydroxy-3-(8-methylnonoxy)propoxy]propane-1,2-diol
CID 71375851
(2S)-3-octadecoxypropane-1,2-diol
CID 10860876
3-heptoxypropane-1,2-diol;hydrate
CID 22908564
(2S)-3-pentoxypropane-1,2-diol
CID 56628191
(2R)-3-[(2R)-3-[(2S)-3-dodecoxy-2-hydroxypropoxy]-2-hydroxypropoxy]propane-1,2-diol
CID 11729241
3-decoxypropane-1,2-diol;ethoxyethane
CID 86708450
3-(2,3-dihydroxypropoxy)propane-1,2-diol;1-hexoxyhexane
CID 87375114
3-hexoxypropane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 174323318
1-octadecoxyicosan-2-ol
CID 88758338
1-octoxydecan-2-ol
CID 57119039
3-[(E)-hexadec-7-enoxy]propane-1,2-diol
CID 10470922

Frequently Asked Questions

What is the IUPAC name of 10-(2,3-dihydroxypropoxy)decane-1,1-diol?
The IUPAC name of 10-(2,3-dihydroxypropoxy)decane-1,1-diol (CID 87342423) is 10-(2,3-dihydroxypropoxy)decane-1,1-diol.
What is the SMILES notation for 10-(2,3-dihydroxypropoxy)decane-1,1-diol?
The canonical SMILES for 10-(2,3-dihydroxypropoxy)decane-1,1-diol is OCC(O)COCCCCCCCCCC(O)O.
What is the InChIKey of 10-(2,3-dihydroxypropoxy)decane-1,1-diol?
The InChIKey is UGPMHXXPASPEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O5/c14-10-12(15)11-18-9-7-5-3-1-2-4-6-8-13(16)17/h12-17H,1-11H2.
What are the key properties of 10-(2,3-dihydroxypropoxy)decane-1,1-diol?
10-(2,3-dihydroxypropoxy)decane-1,1-diol has a molecular weight of 264.36 g/mol, XLogP of 0.79, 13 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2,3-dihydroxypropoxy)decane-1,1-diol is sourced from PubChem (CID 87342423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).