CID 175153260

C10H10NO5Si — CID 175153260

IUPAC—
SMILESO=[N+]([O-])c1ccc2c(c1)OCCC(CO[Si])O2
InChIInChI=1S/C10H10NO5Si/c12-11(13)7-1-2-9-10(5-7)14-4-3-8(16-9)6-15-17/h1-2,5,8H,3-4,6H2
InChIKeyBETKYHDHOUFNNS-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.22
Rot. Bonds3

About CID 175153260

CID 175153260 (PubChem CID 175153260) has the molecular formula C10H10NO5Si and a molecular weight of 252.28 g/mol.

Molecular Properties

Compound NameCID 175153260
PubChem CID175153260
Molecular FormulaC10H10NO5Si
Molecular Weight252.28 g/mol
Exact Mass252.03
IUPAC Name—
SMILESO=[N+]([O-])c1ccc2c(c1)OCCC(CO[Si])O2
InChIInChI=1S/C10H10NO5Si/c12-11(13)7-1-2-9-10(5-7)14-4-3-8(16-9)6-15-17/h1-2,5,8H,3-4,6H2
InChIKeyBETKYHDHOUFNNS-UHFFFAOYSA-N
XLogP1.22
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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10-nitro-2,3,4,5,6,7-hexahydro-1,8-benzodioxecine
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29-nitro-2,5,8,11,14,17,20,23,26-nonaoxabicyclo[25.4.0]hentriaconta-1(27),28,30-triene
CID 14294030
6-nitro-3,4-dihydro-2H-chromene-4-carbaldehyde
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11,24-dinitro-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene;11,25-dinitro-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene;2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene
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2-ethyl-6-nitro-3,4-dihydro-2H-chromene
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6-(2,4-dinitrophenoxy)-2,3-dihydro-1,4-benzodioxine
CID 24561546
6-[(2-chloro-4-nitrophenoxy)methyl]-2,3-dihydro-1,4-benzodioxine
CID 60588817
2-chloro-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-4-nitroaniline
CID 43009208
2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-5-nitrobenzonitrile
CID 7776835
2-(6-nitro-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetate
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2-ethoxy-6-nitro-3,4-dihydro-2H-chromene
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Frequently Asked Questions

What is the IUPAC name of CID 175153260?
The IUPAC name of CID 175153260 (CID 175153260) is not available.
What is the SMILES notation for CID 175153260?
The canonical SMILES for CID 175153260 is O=[N+]([O-])c1ccc2c(c1)OCCC(CO[Si])O2.
What is the InChIKey of CID 175153260?
The InChIKey is BETKYHDHOUFNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10NO5Si/c12-11(13)7-1-2-9-10(5-7)14-4-3-8(16-9)6-15-17/h1-2,5,8H,3-4,6H2.
What are the key properties of CID 175153260?
CID 175153260 has a molecular weight of 252.28 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175153260 is sourced from PubChem (CID 175153260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).