(2R,3R)-1,1-dimethoxydecane-2,3-diol

C12H26O4 — CID 121009247

IUPAC(2R,3R)-1,1-dimethoxydecane-2,3-diol
SMILESCCCCCCC[C@@H](O)[C@@H](O)C(OC)OC
InChIInChI=1S/C12H26O4/c1-4-5-6-7-8-9-10(13)11(14)12(15-2)16-3/h10-14H,4-9H2,1-3H3/t10-,11-/m1/s1
InChIKeyGUTGBKZCOHNOKO-GHMZBOCLSA-N
MW234.34 g/mol
LogP1.69
Rot. Bonds10

About (2R,3R)-1,1-dimethoxydecane-2,3-diol

(2R,3R)-1,1-dimethoxydecane-2,3-diol (PubChem CID 121009247) has the molecular formula C12H26O4 and a molecular weight of 234.34 g/mol. Its IUPAC name is (2R,3R)-1,1-dimethoxydecane-2,3-diol.

Molecular Properties

Compound Name(2R,3R)-1,1-dimethoxydecane-2,3-diol
PubChem CID121009247
Molecular FormulaC12H26O4
Molecular Weight234.34 g/mol
Exact Mass234.18
IUPAC Name(2R,3R)-1,1-dimethoxydecane-2,3-diol
SMILESCCCCCCC[C@@H](O)[C@@H](O)C(OC)OC
InChIInChI=1S/C12H26O4/c1-4-5-6-7-8-9-10(13)11(14)12(15-2)16-3/h10-14H,4-9H2,1-3H3/t10-,11-/m1/s1
InChIKeyGUTGBKZCOHNOKO-GHMZBOCLSA-N
XLogP1.69
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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CID 103456553
3-methoxydodecan-4-ol
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(8S,9S,12R,13R)-icosane-8,9,12,13-tetrol
CID 88872017
(2S,3R,4R,5R)-nonadecane-1,2,3,4,5-pentol
CID 135030850
3-methoxy-2-methylundecan-4-ol
CID 116711927
1-methoxyhenicosan-1-ol
CID 138403001
1-methoxytetradecan-1-ol
CID 19981330
1-methoxydodecan-1-ol
CID 19981343
pentadecane-4,5-diol
CID 103454846
2-methoxynonane-1,1-diol
CID 175114695

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1,1-dimethoxydecane-2,3-diol?
The IUPAC name of (2R,3R)-1,1-dimethoxydecane-2,3-diol (CID 121009247) is (2R,3R)-1,1-dimethoxydecane-2,3-diol.
What is the SMILES notation for (2R,3R)-1,1-dimethoxydecane-2,3-diol?
The canonical SMILES for (2R,3R)-1,1-dimethoxydecane-2,3-diol is CCCCCCC[C@@H](O)[C@@H](O)C(OC)OC.
What is the InChIKey of (2R,3R)-1,1-dimethoxydecane-2,3-diol?
The InChIKey is GUTGBKZCOHNOKO-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H26O4/c1-4-5-6-7-8-9-10(13)11(14)12(15-2)16-3/h10-14H,4-9H2,1-3H3/t10-,11-/m1/s1.
What are the key properties of (2R,3R)-1,1-dimethoxydecane-2,3-diol?
(2R,3R)-1,1-dimethoxydecane-2,3-diol has a molecular weight of 234.34 g/mol, XLogP of 1.69, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1,1-dimethoxydecane-2,3-diol is sourced from PubChem (CID 121009247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).