[diacetyloxy-[[4-(1-methoxyethoxy)phenyl]methyl]silyl] acetate

C16H22O8Si — CID 89280584

IUPAC[diacetyloxy-[[4-(1-methoxyethoxy)phenyl]methyl]silyl] acetate
SMILESCOC(C)Oc1ccc(C[Si](OC(C)=O)(OC(C)=O)OC(C)=O)cc1
InChIInChI=1S/C16H22O8Si/c1-11(17)22-25(23-12(2)18,24-13(3)19)10-15-6-8-16(9-7-15)21-14(4)20-5/h6-9,14H,10H2,1-5H3
InChIKeyAKPNZMRTGUEJBL-UHFFFAOYSA-N
MW370.43 g/mol
LogP1.77
Rot. Bonds8

About [diacetyloxy-[[4-(1-methoxyethoxy)phenyl]methyl]silyl] acetate

[diacetyloxy-[[4-(1-methoxyethoxy)phenyl]methyl]silyl] acetate (PubChem CID 89280584) has the molecular formula C16H22O8Si and a molecular weight of 370.43 g/mol. Its IUPAC name is [diacetyloxy-[[4-(1-methoxyethoxy)phenyl]methyl]silyl] acetate.

Molecular Properties

Compound Name[diacetyloxy-[[4-(1-methoxyethoxy)phenyl]methyl]silyl] acetate
PubChem CID89280584
Molecular FormulaC16H22O8Si
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name[diacetyloxy-[[4-(1-methoxyethoxy)phenyl]methyl]silyl] acetate
SMILESCOC(C)Oc1ccc(C[Si](OC(C)=O)(OC(C)=O)OC(C)=O)cc1
InChIInChI=1S/C16H22O8Si/c1-11(17)22-25(23-12(2)18,24-13(3)19)10-15-6-8-16(9-7-15)21-14(4)20-5/h6-9,14H,10H2,1-5H3
InChIKeyAKPNZMRTGUEJBL-UHFFFAOYSA-N
XLogP1.77
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[[4-[1-(2-methylprop-2-enoyloxy)ethoxy]phenyl]methyl]phenoxy]ethyl 2-methylprop-2-enoate
CID 22602054
[4-[4-(1-methoxyethoxy)phenyl]sulfanylphenyl]methylphosphonic acid
CID 66841767
methyl (2R)-2-amino-3-(4-propan-2-yloxyphenyl)propanoate
CID 131251632
4-(4-propan-2-yloxyphenyl)butan-2-one
CID 24710648
(3R)-3-[4-[(2S)-3-oxobutan-2-yl]oxyphenoxy]butan-2-one
CID 1489408
4-(4-ethylphenoxy)pentan-2-one
CID 64698154
1-(4-methoxyphenyl)propan-2-yl acetate
CID 12523796
3-[4-(2-hydroxyethyl)phenoxy]butan-2-one
CID 107709225
methyl (2R)-2-[4-(hydroxymethyl)phenoxy]propanoate
CID 103337931
3-(4-ethylphenoxy)pentane-2,4-dione
CID 86102382
[4-(3-methyl-2-oxobutyl)phenyl] acetate
CID 129154972
N-[[4-(difluoromethoxy)phenyl]methyl]-2-methoxy-N-methylpropanamide
CID 115587549

Frequently Asked Questions

What is the IUPAC name of [diacetyloxy-[[4-(1-methoxyethoxy)phenyl]methyl]silyl] acetate?
The IUPAC name of [diacetyloxy-[[4-(1-methoxyethoxy)phenyl]methyl]silyl] acetate (CID 89280584) is [diacetyloxy-[[4-(1-methoxyethoxy)phenyl]methyl]silyl] acetate.
What is the SMILES notation for [diacetyloxy-[[4-(1-methoxyethoxy)phenyl]methyl]silyl] acetate?
The canonical SMILES for [diacetyloxy-[[4-(1-methoxyethoxy)phenyl]methyl]silyl] acetate is COC(C)Oc1ccc(C[Si](OC(C)=O)(OC(C)=O)OC(C)=O)cc1.
What is the InChIKey of [diacetyloxy-[[4-(1-methoxyethoxy)phenyl]methyl]silyl] acetate?
The InChIKey is AKPNZMRTGUEJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O8Si/c1-11(17)22-25(23-12(2)18,24-13(3)19)10-15-6-8-16(9-7-15)21-14(4)20-5/h6-9,14H,10H2,1-5H3.
What are the key properties of [diacetyloxy-[[4-(1-methoxyethoxy)phenyl]methyl]silyl] acetate?
[diacetyloxy-[[4-(1-methoxyethoxy)phenyl]methyl]silyl] acetate has a molecular weight of 370.43 g/mol, XLogP of 1.77, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [diacetyloxy-[[4-(1-methoxyethoxy)phenyl]methyl]silyl] acetate is sourced from PubChem (CID 89280584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).