4-[3-[dichloro(methyl)silyl]propoxymethyl]-1,3-dioxolan-2-one

C8H14Cl2O4Si — CID 102323538

IUPAC4-[3-[dichloro(methyl)silyl]propoxymethyl]-1,3-dioxolan-2-one
SMILESC[Si](Cl)(Cl)CCCOCC1COC(=O)O1
InChIInChI=1S/C8H14Cl2O4Si/c1-15(9,10)4-2-3-12-5-7-6-13-8(11)14-7/h7H,2-6H2,1H3
InChIKeyLDHHPBKDPRTQSP-UHFFFAOYSA-N
MW273.19 g/mol
LogP2.48
Rot. Bonds6

About 4-[3-[dichloro(methyl)silyl]propoxymethyl]-1,3-dioxolan-2-one

4-[3-[dichloro(methyl)silyl]propoxymethyl]-1,3-dioxolan-2-one (PubChem CID 102323538) has the molecular formula C8H14Cl2O4Si and a molecular weight of 273.19 g/mol. Its IUPAC name is 4-[3-[dichloro(methyl)silyl]propoxymethyl]-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-[3-[dichloro(methyl)silyl]propoxymethyl]-1,3-dioxolan-2-one
PubChem CID102323538
Molecular FormulaC8H14Cl2O4Si
Molecular Weight273.19 g/mol
Exact Mass272.00
IUPAC Name4-[3-[dichloro(methyl)silyl]propoxymethyl]-1,3-dioxolan-2-one
SMILESC[Si](Cl)(Cl)CCCOCC1COC(=O)O1
InChIInChI=1S/C8H14Cl2O4Si/c1-15(9,10)4-2-3-12-5-7-6-13-8(11)14-7/h7H,2-6H2,1H3
InChIKeyLDHHPBKDPRTQSP-UHFFFAOYSA-N
XLogP2.48
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.19
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[3-[hydroxymethoxy-(hydroxymethyl)-methylsilyl]propoxymethyl]-1,3-dioxolan-2-one
CID 155795839
(4S)-4-[3-[hydroxy(methyl)amino]propoxymethyl]-1,3-dioxolan-2-one
CID 163561102
CID 58831271
CID 58831271
4-[2-[dichloro(methyl)silyl]ethyl]-1,3-dioxolan-2-one
CID 123515532
4-(oxiran-2-ylmethoxymethyl)-1,3-dioxolan-2-one
CID 13170397
4-[[4-[(2-oxo-1,3-dioxolan-4-yl)methoxy]-3,3-bis[(2-oxo-1,3-dioxolan-4-yl)methoxymethyl]butoxy]methyl]-1,3-dioxolan-2-one
CID 154528659
[2-methoxy-3-[4-[(2-oxo-1,3-dioxolan-4-yl)methoxy]butoxy]propyl] formate
CID 163276160
4-(butoxymethyl)-1,3-dioxolan-2-one;2-(butoxymethyl)oxirane;3-propyl-7-oxabicyclo[4.1.0]heptane
CID 158931989
(4R)-4-(prop-2-ynoxymethyl)-1,3-dioxolan-2-one
CID 124674242
4-[(5-oxooxolan-2-yl)methoxymethoxymethyl]-1,3-dioxolan-2-one
CID 130415422
4-(3,3,4,4,5,5,5-heptafluoropentoxymethyl)-1,3-dioxolan-2-one
CID 138625430
dichloro-methyl-[2-(oxiran-2-ylmethoxy)ethyl]silane
CID 153305388

Frequently Asked Questions

What is the IUPAC name of 4-[3-[dichloro(methyl)silyl]propoxymethyl]-1,3-dioxolan-2-one?
The IUPAC name of 4-[3-[dichloro(methyl)silyl]propoxymethyl]-1,3-dioxolan-2-one (CID 102323538) is 4-[3-[dichloro(methyl)silyl]propoxymethyl]-1,3-dioxolan-2-one.
What is the SMILES notation for 4-[3-[dichloro(methyl)silyl]propoxymethyl]-1,3-dioxolan-2-one?
The canonical SMILES for 4-[3-[dichloro(methyl)silyl]propoxymethyl]-1,3-dioxolan-2-one is C[Si](Cl)(Cl)CCCOCC1COC(=O)O1.
What is the InChIKey of 4-[3-[dichloro(methyl)silyl]propoxymethyl]-1,3-dioxolan-2-one?
The InChIKey is LDHHPBKDPRTQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14Cl2O4Si/c1-15(9,10)4-2-3-12-5-7-6-13-8(11)14-7/h7H,2-6H2,1H3.
What are the key properties of 4-[3-[dichloro(methyl)silyl]propoxymethyl]-1,3-dioxolan-2-one?
4-[3-[dichloro(methyl)silyl]propoxymethyl]-1,3-dioxolan-2-one has a molecular weight of 273.19 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[dichloro(methyl)silyl]propoxymethyl]-1,3-dioxolan-2-one is sourced from PubChem (CID 102323538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).