CID 58879086

C9H17O3Si — CID 58879086

IUPAC—
SMILESC=CC(=O)OCCO[Si](C)CCC
InChIInChI=1S/C9H17O3Si/c1-4-8-13(3)12-7-6-11-9(10)5-2/h5H,2,4,6-8H2,1,3H3
InChIKeyCCARUHSYZWLWPT-UHFFFAOYSA-N
MW201.32 g/mol
LogP1.76
Rot. Bonds7

About CID 58879086

CID 58879086 (PubChem CID 58879086) has the molecular formula C9H17O3Si and a molecular weight of 201.32 g/mol.

Molecular Properties

Compound NameCID 58879086
PubChem CID58879086
Molecular FormulaC9H17O3Si
Molecular Weight201.32 g/mol
Exact Mass201.09
IUPAC Name—
SMILESC=CC(=O)OCCO[Si](C)CCC
InChIInChI=1S/C9H17O3Si/c1-4-8-13(3)12-7-6-11-9(10)5-2/h5H,2,4,6-8H2,1,3H3
InChIKeyCCARUHSYZWLWPT-UHFFFAOYSA-N
XLogP1.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.32
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 11083788
2-docosoxyethyl prop-2-enoate
CID 87118947
carbamic acid;propyl prop-2-enoate
CID 87571569
ethenoxyethene;propyl prop-2-enoate
CID 174744389
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate;tridecyl prop-2-enoate
CID 159575283
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
pentatriacontyl prop-2-enoate
CID 141309454
hexyl prop-2-enoate
CID 17259
docosyl prop-2-enoate;henicosyl prop-2-enoate;icosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 159127322
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate
CID 159699669
decyl prop-2-enoate
CID 162172023

Frequently Asked Questions

What is the IUPAC name of CID 58879086?
The IUPAC name of CID 58879086 (CID 58879086) is not available.
What is the SMILES notation for CID 58879086?
The canonical SMILES for CID 58879086 is C=CC(=O)OCCO[Si](C)CCC.
What is the InChIKey of CID 58879086?
The InChIKey is CCARUHSYZWLWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17O3Si/c1-4-8-13(3)12-7-6-11-9(10)5-2/h5H,2,4,6-8H2,1,3H3.
What are the key properties of CID 58879086?
CID 58879086 has a molecular weight of 201.32 g/mol, XLogP of 1.76, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58879086 is sourced from PubChem (CID 58879086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).