(2R)-1-[2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]ethoxy]-5-triethylsilylpent-4-yn-2-ol

C19H36O5Si — CID 10809321

IUPAC(2R)-1-[2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]ethoxy]-5-triethylsilylpent-4-yn-2-ol
SMILESCC[Si](C#CC[C@@H](O)COCCOC[C@@H]1COC(C)(C)O1)(CC)CC
InChIInChI=1S/C19H36O5Si/c1-6-25(7-2,8-3)13-9-10-17(20)14-21-11-12-22-15-18-16-23-19(4,5)24-18/h17-18,20H,6-8,10-12,14-16H2,1-5H3/t17-,18-/m1/s1
InChIKeyABUCPRRHDALBJO-QZTJIDSGSA-N
MW372.58 g/mol
LogP2.97
Rot. Bonds11

About (2R)-1-[2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]ethoxy]-5-triethylsilylpent-4-yn-2-ol

(2R)-1-[2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]ethoxy]-5-triethylsilylpent-4-yn-2-ol (PubChem CID 10809321) has the molecular formula C19H36O5Si and a molecular weight of 372.58 g/mol. Its IUPAC name is (2R)-1-[2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]ethoxy]-5-triethylsilylpent-4-yn-2-ol.

Molecular Properties

Compound Name(2R)-1-[2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]ethoxy]-5-triethylsilylpent-4-yn-2-ol
PubChem CID10809321
Molecular FormulaC19H36O5Si
Molecular Weight372.58 g/mol
Exact Mass372.23
IUPAC Name(2R)-1-[2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]ethoxy]-5-triethylsilylpent-4-yn-2-ol
SMILESCC[Si](C#CC[C@@H](O)COCCOC[C@@H]1COC(C)(C)O1)(CC)CC
InChIInChI=1S/C19H36O5Si/c1-6-25(7-2,8-3)13-9-10-17(20)14-21-11-12-22-15-18-16-23-19(4,5)24-18/h17-18,20H,6-8,10-12,14-16H2,1-5H3/t17-,18-/m1/s1
InChIKeyABUCPRRHDALBJO-QZTJIDSGSA-N
XLogP2.97
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.58
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]propan-2-ol
CID 10903259
(4S)-4-(2-methoxyethoxymethyl)-2,2-dimethyl-1,3-dioxolane
CID 57158294
4-(ethoxymethyl)-2,2-dimethyl-1,3-dioxolane;2-(propoxymethyl)oxirane
CID 91584937
2,2-dimethyl-4-(2-propan-2-yloxyethoxymethyl)-1,3-dioxolane
CID 59660808
3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]propan-1-ol
CID 56946744
4-(2-ethenoxyethoxymethyl)-2,2-dimethyl-1,3-dioxolane
CID 102197392
(4S)-4-(4-bromobutoxymethyl)-2,2-dimethyl-1,3-dioxolane
CID 118624680
2,2-dimethyl-4-(2-propoxyhexadecoxymethyl)-1,3-dioxolane
CID 622798
(4R)-2,2-dimethyl-4-(prop-2-ynoxymethyl)-1,3-dioxolane
CID 102409102
methyl (2S)-3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-methylpropanoate
CID 7176363
4-(cyclopropylmethoxymethyl)-2,2-dimethyl-1,3-dioxolane
CID 146450833
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-[2-[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-oxoethoxy]ethoxy]acetate
CID 163831813

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]ethoxy]-5-triethylsilylpent-4-yn-2-ol?
The IUPAC name of (2R)-1-[2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]ethoxy]-5-triethylsilylpent-4-yn-2-ol (CID 10809321) is (2R)-1-[2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]ethoxy]-5-triethylsilylpent-4-yn-2-ol.
What is the SMILES notation for (2R)-1-[2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]ethoxy]-5-triethylsilylpent-4-yn-2-ol?
The canonical SMILES for (2R)-1-[2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]ethoxy]-5-triethylsilylpent-4-yn-2-ol is CC[Si](C#CC[C@@H](O)COCCOC[C@@H]1COC(C)(C)O1)(CC)CC.
What is the InChIKey of (2R)-1-[2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]ethoxy]-5-triethylsilylpent-4-yn-2-ol?
The InChIKey is ABUCPRRHDALBJO-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H36O5Si/c1-6-25(7-2,8-3)13-9-10-17(20)14-21-11-12-22-15-18-16-23-19(4,5)24-18/h17-18,20H,6-8,10-12,14-16H2,1-5H3/t17-,18-/m1/s1.
What are the key properties of (2R)-1-[2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]ethoxy]-5-triethylsilylpent-4-yn-2-ol?
(2R)-1-[2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]ethoxy]-5-triethylsilylpent-4-yn-2-ol has a molecular weight of 372.58 g/mol, XLogP of 2.97, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]ethoxy]-5-triethylsilylpent-4-yn-2-ol is sourced from PubChem (CID 10809321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).