[2-[(2S,4S)-4-(methoxymethyl)-1,3-dioxan-2-yl]cyclopentyl]-dimethyl-phenylphosphanium

C19H30O3P+ — CID 91349043

IUPAC[2-[(2S,4S)-4-(methoxymethyl)-1,3-dioxan-2-yl]cyclopentyl]-dimethyl-phenylphosphanium
SMILESCOC[C@@H]1CCO[C@H](C2CCCC2[P+](C)(C)c2ccccc2)O1
InChIInChI=1S/C19H30O3P/c1-20-14-15-12-13-21-19(22-15)17-10-7-11-18(17)23(2,3)16-8-5-4-6-9-16/h4-6,8-9,15,17-19H,7,10-14H2,1-3H3/q+1/t15-,17?,18?,19-/m0/s1
InChIKeyMQNJXMMESLXJSX-RXQRSOPUSA-N
MW337.42 g/mol
LogP3.54
Rot. Bonds5

About [2-[(2S,4S)-4-(methoxymethyl)-1,3-dioxan-2-yl]cyclopentyl]-dimethyl-phenylphosphanium

[2-[(2S,4S)-4-(methoxymethyl)-1,3-dioxan-2-yl]cyclopentyl]-dimethyl-phenylphosphanium (PubChem CID 91349043) has the molecular formula C19H30O3P+ and a molecular weight of 337.42 g/mol. Its IUPAC name is [2-[(2S,4S)-4-(methoxymethyl)-1,3-dioxan-2-yl]cyclopentyl]-dimethyl-phenylphosphanium.

Molecular Properties

Compound Name[2-[(2S,4S)-4-(methoxymethyl)-1,3-dioxan-2-yl]cyclopentyl]-dimethyl-phenylphosphanium
PubChem CID91349043
Molecular FormulaC19H30O3P+
Molecular Weight337.42 g/mol
Exact Mass337.19
IUPAC Name[2-[(2S,4S)-4-(methoxymethyl)-1,3-dioxan-2-yl]cyclopentyl]-dimethyl-phenylphosphanium
SMILESCOC[C@@H]1CCO[C@H](C2CCCC2[P+](C)(C)c2ccccc2)O1
InChIInChI=1S/C19H30O3P/c1-20-14-15-12-13-21-19(22-15)17-10-7-11-18(17)23(2,3)16-8-5-4-6-9-16/h4-6,8-9,15,17-19H,7,10-14H2,1-3H3/q+1/t15-,17?,18?,19-/m0/s1
InChIKeyMQNJXMMESLXJSX-RXQRSOPUSA-N
XLogP3.54
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(cyclopentane);(2-formylcyclopentyl)-dimethyl-phenylphosphanium;iron;methane;methanol;[2-[(2S,4S)-4-(methoxymethyl)-1,3-dioxan-2-yl]cyclopentyl]-dimethyl-phenylphosphanium
CID 162272017
[2-(hydroxymethyl)cyclopentyl]-dimethyl-phenylphosphanium
CID 90741599
CID 135047252
CID 135047252
(4S)-2-cyclopenta-1,3-dien-1-yl-4-(methoxymethyl)-1,3-dioxane
CID 135037400
cyclopentane;[2-[(1R)-1-(dimethylamino)ethyl]cyclopentyl]-dimethyl-phenylphosphanium
CID 90743045
[(2S,4S)-2-phenyl-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane
CID 16688961
bis(2-(methoxymethyl)oxirane);naphthalene
CID 90795590
2,5-bis(methoxymethyl)oxolane
CID 57041378
CID 58903834
CID 58903834
(2S,3R)-2-(methoxymethyl)-3-[(1R,2R)-2-(methoxymethyl)cyclopentyl]oxolane
CID 144956310
[5-[(2S,4S)-4-(methoxymethyl)-1,3-dioxan-2-yl]cyclopenta-1,3-dien-1-yl] acetate
CID 138976154
(2R,6R)-2-methoxy-6-(trityloxymethyl)oxane
CID 56627536

Frequently Asked Questions

What is the IUPAC name of [2-[(2S,4S)-4-(methoxymethyl)-1,3-dioxan-2-yl]cyclopentyl]-dimethyl-phenylphosphanium?
The IUPAC name of [2-[(2S,4S)-4-(methoxymethyl)-1,3-dioxan-2-yl]cyclopentyl]-dimethyl-phenylphosphanium (CID 91349043) is [2-[(2S,4S)-4-(methoxymethyl)-1,3-dioxan-2-yl]cyclopentyl]-dimethyl-phenylphosphanium.
What is the SMILES notation for [2-[(2S,4S)-4-(methoxymethyl)-1,3-dioxan-2-yl]cyclopentyl]-dimethyl-phenylphosphanium?
The canonical SMILES for [2-[(2S,4S)-4-(methoxymethyl)-1,3-dioxan-2-yl]cyclopentyl]-dimethyl-phenylphosphanium is COC[C@@H]1CCO[C@H](C2CCCC2[P+](C)(C)c2ccccc2)O1.
What is the InChIKey of [2-[(2S,4S)-4-(methoxymethyl)-1,3-dioxan-2-yl]cyclopentyl]-dimethyl-phenylphosphanium?
The InChIKey is MQNJXMMESLXJSX-RXQRSOPUSA-N. The full InChI is InChI=1S/C19H30O3P/c1-20-14-15-12-13-21-19(22-15)17-10-7-11-18(17)23(2,3)16-8-5-4-6-9-16/h4-6,8-9,15,17-19H,7,10-14H2,1-3H3/q+1/t15-,17?,18?,19-/m0/s1.
What are the key properties of [2-[(2S,4S)-4-(methoxymethyl)-1,3-dioxan-2-yl]cyclopentyl]-dimethyl-phenylphosphanium?
[2-[(2S,4S)-4-(methoxymethyl)-1,3-dioxan-2-yl]cyclopentyl]-dimethyl-phenylphosphanium has a molecular weight of 337.42 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2S,4S)-4-(methoxymethyl)-1,3-dioxan-2-yl]cyclopentyl]-dimethyl-phenylphosphanium is sourced from PubChem (CID 91349043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).