(2R)-2-dimethoxyphosphoryldec-3-yn-2-ol

C12H23O4P — CID 135055958

IUPAC(2R)-2-dimethoxyphosphoryldec-3-yn-2-ol
SMILESCCCCCCC#C[C@](C)(O)P(=O)(OC)OC
InChIInChI=1S/C12H23O4P/c1-5-6-7-8-9-10-11-12(2,13)17(14,15-3)16-4/h13H,5-9H2,1-4H3/t12-/m1/s1
InChIKeyMHTMAWIIQFKWAE-GFCCVEGCSA-N
MW262.29 g/mol
LogP3.15
Rot. Bonds7

About (2R)-2-dimethoxyphosphoryldec-3-yn-2-ol

(2R)-2-dimethoxyphosphoryldec-3-yn-2-ol (PubChem CID 135055958) has the molecular formula C12H23O4P and a molecular weight of 262.29 g/mol. Its IUPAC name is (2R)-2-dimethoxyphosphoryldec-3-yn-2-ol.

Molecular Properties

Compound Name(2R)-2-dimethoxyphosphoryldec-3-yn-2-ol
PubChem CID135055958
Molecular FormulaC12H23O4P
Molecular Weight262.29 g/mol
Exact Mass262.13
IUPAC Name(2R)-2-dimethoxyphosphoryldec-3-yn-2-ol
SMILESCCCCCCC#C[C@](C)(O)P(=O)(OC)OC
InChIInChI=1S/C12H23O4P/c1-5-6-7-8-9-10-11-12(2,13)17(14,15-3)16-4/h13H,5-9H2,1-4H3/t12-/m1/s1
InChIKeyMHTMAWIIQFKWAE-GFCCVEGCSA-N
XLogP3.15
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyldec-3-yne-1,2-diol
CID 121216457
6-methyltridec-7-yn-6-ol
CID 10353086
7,8-dimethyltetradeca-5,9-diyne-7,8-diol
CID 102249526
3-methylundec-1-en-4-yn-3-ol
CID 121007343
2,2,3,3-tetramethyldodec-4-yne
CID 123959581
2-methyltrideca-3,5-diyn-2-ol
CID 101092007
3-(aminomethyl)-2,2-dimethylundec-4-yn-3-ol
CID 13113251
bis(tricosa-10,12-diynyl) hydrogen phosphate
CID 15084952
1,1,1-trifluoroundec-2-yne
CID 87327647
dodecane;phosphoric acid
CID 88801558
henicos-8-yne
CID 22224321
3-methoxy-3-methylnon-4-yne
CID 101213955

Frequently Asked Questions

What is the IUPAC name of (2R)-2-dimethoxyphosphoryldec-3-yn-2-ol?
The IUPAC name of (2R)-2-dimethoxyphosphoryldec-3-yn-2-ol (CID 135055958) is (2R)-2-dimethoxyphosphoryldec-3-yn-2-ol.
What is the SMILES notation for (2R)-2-dimethoxyphosphoryldec-3-yn-2-ol?
The canonical SMILES for (2R)-2-dimethoxyphosphoryldec-3-yn-2-ol is CCCCCCC#C[C@](C)(O)P(=O)(OC)OC.
What is the InChIKey of (2R)-2-dimethoxyphosphoryldec-3-yn-2-ol?
The InChIKey is MHTMAWIIQFKWAE-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H23O4P/c1-5-6-7-8-9-10-11-12(2,13)17(14,15-3)16-4/h13H,5-9H2,1-4H3/t12-/m1/s1.
What are the key properties of (2R)-2-dimethoxyphosphoryldec-3-yn-2-ol?
(2R)-2-dimethoxyphosphoryldec-3-yn-2-ol has a molecular weight of 262.29 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-dimethoxyphosphoryldec-3-yn-2-ol is sourced from PubChem (CID 135055958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).