(2R,3S,5S)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4,5-dimethyloxolan-3-ol

C11H23O2P — CID 90439954

IUPAC(2R,3S,5S)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4,5-dimethyloxolan-3-ol
SMILESC=P(C)(C)CC[C@H]1O[C@@H](C)C(C)[C@@H]1O
InChIInChI=1S/C11H23O2P/c1-8-9(2)13-10(11(8)12)6-7-14(3,4)5/h8-12H,3,6-7H2,1-2,4-5H3/t8?,9-,10+,11-/m0/s1
InChIKeyDMRNYAXRHGTDFS-GYIHNLGQSA-N
MW218.28 g/mol
LogP1.87
Rot. Bonds3

About (2R,3S,5S)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4,5-dimethyloxolan-3-ol

(2R,3S,5S)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4,5-dimethyloxolan-3-ol (PubChem CID 90439954) has the molecular formula C11H23O2P and a molecular weight of 218.28 g/mol. Its IUPAC name is (2R,3S,5S)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4,5-dimethyloxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,5S)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4,5-dimethyloxolan-3-ol
PubChem CID90439954
Molecular FormulaC11H23O2P
Molecular Weight218.28 g/mol
Exact Mass218.14
IUPAC Name(2R,3S,5S)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4,5-dimethyloxolan-3-ol
SMILESC=P(C)(C)CC[C@H]1O[C@@H](C)C(C)[C@@H]1O
InChIInChI=1S/C11H23O2P/c1-8-9(2)13-10(11(8)12)6-7-14(3,4)5/h8-12H,3,6-7H2,1-2,4-5H3/t8?,9-,10+,11-/m0/s1
InChIKeyDMRNYAXRHGTDFS-GYIHNLGQSA-N
XLogP1.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-[[dimethyl(methylidene)-λ5-phosphanyl]methyl]-2-methyloxolan-3-ol
CID 158062443
CID 160970786
CID 160970786
(3R,4R)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol
CID 121426281
(2R,3S,4S,5S)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol
CID 122527518
(3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-methyloxolan-3-ol
CID 90275967
2-(hydroxymethyl)-3,5,6-trimethyloxan-4-ol
CID 22983061
ethane;2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol
CID 144927729
(2R,3S,4S,5R,6R)-2-ethyl-4,5,6-trimethyloxan-3-ol
CID 163662834
4,5-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol
CID 122537677
9-[(2R,3R,4S)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-hydroxy-3-methyloxolan-2-yl]-2-methyl-1H-purin-6-one
CID 136509460
[hydroxy-[hydroxy-[[(2R,3R,5S)-3-hydroxy-4,5-dimethyloxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxy-methylphosphinic acid
CID 160945376
(3S,4R,5S,6S)-2-(4-hydroxybutyl)-6-methyloxane-3,4,5-triol
CID 139571307

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5S)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4,5-dimethyloxolan-3-ol?
The IUPAC name of (2R,3S,5S)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4,5-dimethyloxolan-3-ol (CID 90439954) is (2R,3S,5S)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4,5-dimethyloxolan-3-ol.
What is the SMILES notation for (2R,3S,5S)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4,5-dimethyloxolan-3-ol?
The canonical SMILES for (2R,3S,5S)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4,5-dimethyloxolan-3-ol is C=P(C)(C)CC[C@H]1O[C@@H](C)C(C)[C@@H]1O.
What is the InChIKey of (2R,3S,5S)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4,5-dimethyloxolan-3-ol?
The InChIKey is DMRNYAXRHGTDFS-GYIHNLGQSA-N. The full InChI is InChI=1S/C11H23O2P/c1-8-9(2)13-10(11(8)12)6-7-14(3,4)5/h8-12H,3,6-7H2,1-2,4-5H3/t8?,9-,10+,11-/m0/s1.
What are the key properties of (2R,3S,5S)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4,5-dimethyloxolan-3-ol?
(2R,3S,5S)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4,5-dimethyloxolan-3-ol has a molecular weight of 218.28 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5S)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4,5-dimethyloxolan-3-ol is sourced from PubChem (CID 90439954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).