CID 70475390

C14H11O3Si — CID 70475390

IUPAC—
SMILESCC=C(C(=O)O)c1c(O[Si])ccc2ccccc12
InChIInChI=1S/C14H11O3Si/c1-2-10(14(15)16)13-11-6-4-3-5-9(11)7-8-12(13)17-18/h2-8H,1H3,(H,15,16)
InChIKeyLABOKWSHEZULOV-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.79
Rot. Bonds3

About CID 70475390

CID 70475390 (PubChem CID 70475390) has the molecular formula C14H11O3Si and a molecular weight of 255.33 g/mol.

Molecular Properties

Compound NameCID 70475390
PubChem CID70475390
Molecular FormulaC14H11O3Si
Molecular Weight255.33 g/mol
Exact Mass255.05
IUPAC Name—
SMILESCC=C(C(=O)O)c1c(O[Si])ccc2ccccc12
InChIInChI=1S/C14H11O3Si/c1-2-10(14(15)16)13-11-6-4-3-5-9(11)7-8-12(13)17-18/h2-8H,1H3,(H,15,16)
InChIKeyLABOKWSHEZULOV-UHFFFAOYSA-N
XLogP2.79
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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2-methoxy-N,N-dimethylnaphthalene-1-carboxamide
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3-(2-ethoxynaphthalen-1-yl)-3-oxopropanoic acid
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methyl 2-prop-2-enoxynaphthalene-1-carboxylate
CID 118875774
1-(2-methoxynaphthalen-1-yl)but-3-en-2-one
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methyl (E)-4-(2-methoxynaphthalen-1-yl)-4-oxobut-2-enoate
CID 82550402
(1-carbamoylnaphthalen-2-yl) formate
CID 91361931
(Z)-3-(2-methoxynaphthalen-1-yl)-2-thiophen-2-ylprop-2-enoic acid
CID 22684789
[amino-(2-methoxynaphthalen-1-yl)methylidene]azanium
CID 6347163
(E)-4-(2-methoxynaphthalen-1-yl)-2-oxobut-3-enoic acid
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2-[2-(2-methylphenoxy)ethoxy]naphthalene-1-carboxylic acid
CID 22685904

Frequently Asked Questions

What is the IUPAC name of CID 70475390?
The IUPAC name of CID 70475390 (CID 70475390) is not available.
What is the SMILES notation for CID 70475390?
The canonical SMILES for CID 70475390 is CC=C(C(=O)O)c1c(O[Si])ccc2ccccc12.
What is the InChIKey of CID 70475390?
The InChIKey is LABOKWSHEZULOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11O3Si/c1-2-10(14(15)16)13-11-6-4-3-5-9(11)7-8-12(13)17-18/h2-8H,1H3,(H,15,16).
What are the key properties of CID 70475390?
CID 70475390 has a molecular weight of 255.33 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70475390 is sourced from PubChem (CID 70475390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).