[(3aR,5R,6S,6aR)-2,2,5-trimethyl-6-phosphanyloxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxyphosphane

C9H18O5P2 — CID 166789825

IUPAC[(3aR,5R,6S,6aR)-2,2,5-trimethyl-6-phosphanyloxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxyphosphane
SMILESCC1(C)O[C@H]2O[C@](C)(COP)[C@@H](OP)[C@H]2O1
InChIInChI=1S/C9H18O5P2/c1-8(2)11-5-6(14-16)9(3,4-10-15)13-7(5)12-8/h5-7H,4,15-16H2,1-3H3/t5-,6+,7+,9-/m1/s1
InChIKeyUTUXNCHTACWQDE-UTSKPXGSSA-N
MW268.19 g/mol
LogP1.23
Rot. Bonds3

About [(3aR,5R,6S,6aR)-2,2,5-trimethyl-6-phosphanyloxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxyphosphane

[(3aR,5R,6S,6aR)-2,2,5-trimethyl-6-phosphanyloxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxyphosphane (PubChem CID 166789825) has the molecular formula C9H18O5P2 and a molecular weight of 268.19 g/mol. Its IUPAC name is [(3aR,5R,6S,6aR)-2,2,5-trimethyl-6-phosphanyloxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxyphosphane.

Molecular Properties

Compound Name[(3aR,5R,6S,6aR)-2,2,5-trimethyl-6-phosphanyloxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxyphosphane
PubChem CID166789825
Molecular FormulaC9H18O5P2
Molecular Weight268.19 g/mol
Exact Mass268.06
IUPAC Name[(3aR,5R,6S,6aR)-2,2,5-trimethyl-6-phosphanyloxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxyphosphane
SMILESCC1(C)O[C@H]2O[C@](C)(COP)[C@@H](OP)[C@H]2O1
InChIInChI=1S/C9H18O5P2/c1-8(2)11-5-6(14-16)9(3,4-10-15)13-7(5)12-8/h5-7H,4,15-16H2,1-3H3/t5-,6+,7+,9-/m1/s1
InChIKeyUTUXNCHTACWQDE-UTSKPXGSSA-N
XLogP1.23
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.19
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(3aR,5R,6S,6aR)-2,2,5-trimethyl-6-phosphanyloxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxyphosphane with MolForge

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Related Compounds

(3aR,5R,6S,6aR)-5-(fluoromethyl)-6-methoxy-5-(methoxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole
CID 170150469
[(3aR,5R,6R,6aR)-5-(hydroxymethyl)-2,2-dimethyl-6-propanoyloxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methyl propanoate
CID 102325485
(6-hydroxy-2,2,5-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl)methyl benzoate
CID 90429287
[(7R)-5,6,7-triacetyloxy-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl] acetate
CID 45050308
(1R,2S,6S,7S,8R,9S)-7-chloro-8-methoxy-4,4,11,11-tetramethyl-3,5,10,12-tetraoxatricyclo[7.3.0.02,6]dodecane
CID 44573140
[(3aR,5R,6S,6aR)-2,2,5-trimethyl-6-(naphthalen-2-ylmethoxy)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane
CID 140673781
(2R,6R,8R)-8-(methoxymethyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
CID 134973745
(1R,2R,6S,8S,9R)-8-(methoxymethyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
CID 11896203
[(3aS,5R)-5-ethyl-2,2,6-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol
CID 59968638
[(3aR,5R,6aS)-5-ethyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol
CID 158868399
(3aS,5R,6aS)-6-butoxy-5-(butoxymethyl)-5-(fluoromethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole
CID 122453429
[(3aR,5R,6R,6aR)-6-butoxy-5-(butoxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol
CID 102325486

Frequently Asked Questions

What is the IUPAC name of [(3aR,5R,6S,6aR)-2,2,5-trimethyl-6-phosphanyloxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxyphosphane?
The IUPAC name of [(3aR,5R,6S,6aR)-2,2,5-trimethyl-6-phosphanyloxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxyphosphane (CID 166789825) is [(3aR,5R,6S,6aR)-2,2,5-trimethyl-6-phosphanyloxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxyphosphane.
What is the SMILES notation for [(3aR,5R,6S,6aR)-2,2,5-trimethyl-6-phosphanyloxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxyphosphane?
The canonical SMILES for [(3aR,5R,6S,6aR)-2,2,5-trimethyl-6-phosphanyloxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxyphosphane is CC1(C)O[C@H]2O[C@](C)(COP)[C@@H](OP)[C@H]2O1.
What is the InChIKey of [(3aR,5R,6S,6aR)-2,2,5-trimethyl-6-phosphanyloxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxyphosphane?
The InChIKey is UTUXNCHTACWQDE-UTSKPXGSSA-N. The full InChI is InChI=1S/C9H18O5P2/c1-8(2)11-5-6(14-16)9(3,4-10-15)13-7(5)12-8/h5-7H,4,15-16H2,1-3H3/t5-,6+,7+,9-/m1/s1.
What are the key properties of [(3aR,5R,6S,6aR)-2,2,5-trimethyl-6-phosphanyloxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxyphosphane?
[(3aR,5R,6S,6aR)-2,2,5-trimethyl-6-phosphanyloxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxyphosphane has a molecular weight of 268.19 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,5R,6S,6aR)-2,2,5-trimethyl-6-phosphanyloxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxyphosphane is sourced from PubChem (CID 166789825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).