4-[3-[hydroxymethoxy-(hydroxymethyl)-methylsilyl]propoxymethyl]-1,3-dioxolan-2-one

C10H20O7Si — CID 155795839

IUPAC4-[3-[hydroxymethoxy-(hydroxymethyl)-methylsilyl]propoxymethyl]-1,3-dioxolan-2-one
SMILESC[Si](CO)(CCCOCC1COC(=O)O1)OCO
InChIInChI=1S/C10H20O7Si/c1-18(8-12,16-7-11)4-2-3-14-5-9-6-15-10(13)17-9/h9,11-12H,2-8H2,1H3
InChIKeyYXKMXSPQZQSIKS-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.00
Rot. Bonds9

About 4-[3-[hydroxymethoxy-(hydroxymethyl)-methylsilyl]propoxymethyl]-1,3-dioxolan-2-one

4-[3-[hydroxymethoxy-(hydroxymethyl)-methylsilyl]propoxymethyl]-1,3-dioxolan-2-one (PubChem CID 155795839) has the molecular formula C10H20O7Si and a molecular weight of 280.35 g/mol. Its IUPAC name is 4-[3-[hydroxymethoxy-(hydroxymethyl)-methylsilyl]propoxymethyl]-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-[3-[hydroxymethoxy-(hydroxymethyl)-methylsilyl]propoxymethyl]-1,3-dioxolan-2-one
PubChem CID155795839
Molecular FormulaC10H20O7Si
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name4-[3-[hydroxymethoxy-(hydroxymethyl)-methylsilyl]propoxymethyl]-1,3-dioxolan-2-one
SMILESC[Si](CO)(CCCOCC1COC(=O)O1)OCO
InChIInChI=1S/C10H20O7Si/c1-18(8-12,16-7-11)4-2-3-14-5-9-6-15-10(13)17-9/h9,11-12H,2-8H2,1H3
InChIKeyYXKMXSPQZQSIKS-UHFFFAOYSA-N
XLogP0.00
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-[3-[dichloro(methyl)silyl]propoxymethyl]-1,3-dioxolan-2-one
CID 102323538
(4S)-4-[3-[hydroxy(methyl)amino]propoxymethyl]-1,3-dioxolan-2-one
CID 163561102
CID 58831271
CID 58831271
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
4-[[1-(hydroxymethyl)cyclopropyl]methoxymethyl]-1,3-dioxolan-2-one
CID 144608908
[2-methoxy-3-[4-[(2-oxo-1,3-dioxolan-4-yl)methoxy]butoxy]propyl] formate
CID 163276160
(4S)-4-(hydroxymethyl)-1,3-dioxolan-2-one
CID 10080384
(4R)-4-(hydroxymethyl)-1,3-dioxolan-2-one
CID 11819074
bis[(2-oxo-1,3-dioxolan-4-yl)methyl] pentanedioate
CID 59449201
(4R)-4-(prop-2-ynoxymethyl)-1,3-dioxolan-2-one
CID 124674242
2-ethoxyethyl 2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]acetate
CID 59844671

Frequently Asked Questions

What is the IUPAC name of 4-[3-[hydroxymethoxy-(hydroxymethyl)-methylsilyl]propoxymethyl]-1,3-dioxolan-2-one?
The IUPAC name of 4-[3-[hydroxymethoxy-(hydroxymethyl)-methylsilyl]propoxymethyl]-1,3-dioxolan-2-one (CID 155795839) is 4-[3-[hydroxymethoxy-(hydroxymethyl)-methylsilyl]propoxymethyl]-1,3-dioxolan-2-one.
What is the SMILES notation for 4-[3-[hydroxymethoxy-(hydroxymethyl)-methylsilyl]propoxymethyl]-1,3-dioxolan-2-one?
The canonical SMILES for 4-[3-[hydroxymethoxy-(hydroxymethyl)-methylsilyl]propoxymethyl]-1,3-dioxolan-2-one is C[Si](CO)(CCCOCC1COC(=O)O1)OCO.
What is the InChIKey of 4-[3-[hydroxymethoxy-(hydroxymethyl)-methylsilyl]propoxymethyl]-1,3-dioxolan-2-one?
The InChIKey is YXKMXSPQZQSIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O7Si/c1-18(8-12,16-7-11)4-2-3-14-5-9-6-15-10(13)17-9/h9,11-12H,2-8H2,1H3.
What are the key properties of 4-[3-[hydroxymethoxy-(hydroxymethyl)-methylsilyl]propoxymethyl]-1,3-dioxolan-2-one?
4-[3-[hydroxymethoxy-(hydroxymethyl)-methylsilyl]propoxymethyl]-1,3-dioxolan-2-one has a molecular weight of 280.35 g/mol, XLogP of 0.00, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[hydroxymethoxy-(hydroxymethyl)-methylsilyl]propoxymethyl]-1,3-dioxolan-2-one is sourced from PubChem (CID 155795839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).