CID 18704003

C6H8O6Si5- — CID 18704003

IUPAC—
SMILESCCC/C=C(/[Si]O[Si]O[Si]O[Si]O[Si])C(=O)[O-]
InChIInChI=1S/C6H9O6Si5/c1-2-3-4-5(6(7)8)14-10-16-12-17-11-15-9-13/h4H,2-3H2,1H3,(H,7,8)/p-1/b5-4+
InChIKeyTXPXHBDMQCVFBL-SNAWJCMRSA-M
MW316.55 g/mol
LogP-2.21
Rot. Bonds11

About CID 18704003

CID 18704003 (PubChem CID 18704003) has the molecular formula C6H8O6Si5- and a molecular weight of 316.55 g/mol.

Molecular Properties

Compound NameCID 18704003
PubChem CID18704003
Molecular FormulaC6H8O6Si5-
Molecular Weight316.55 g/mol
Exact Mass315.92
IUPAC Name—
SMILESCCC/C=C(/[Si]O[Si]O[Si]O[Si]O[Si])C(=O)[O-]
InChIInChI=1S/C6H9O6Si5/c1-2-3-4-5(6(7)8)14-10-16-12-17-11-15-9-13/h4H,2-3H2,1H3,(H,7,8)/p-1/b5-4+
InChIKeyTXPXHBDMQCVFBL-SNAWJCMRSA-M
XLogP-2.21
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.55
LogP ≤ 5-2.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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(E)-2-ethylhex-2-enamide
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(Z)-2-aminohex-2-enamide
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(Z)-2-aminohex-2-enamide;hydrochloride
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CID 173143432
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CID 101285149
2-propylhex-2-eneperoxoic acid
CID 175435177
(Z)-2-aminohex-2-enamide;chloromethane
CID 126509379
2-methylhex-2-enamide;hydrochloride
CID 141109029
[(Z)-2-ethylhex-2-enoyl] (Z)-2-ethylhex-2-enoate
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Frequently Asked Questions

What is the IUPAC name of CID 18704003?
The IUPAC name of CID 18704003 (CID 18704003) is not available.
What is the SMILES notation for CID 18704003?
The canonical SMILES for CID 18704003 is CCC/C=C(/[Si]O[Si]O[Si]O[Si]O[Si])C(=O)[O-].
What is the InChIKey of CID 18704003?
The InChIKey is TXPXHBDMQCVFBL-SNAWJCMRSA-M. The full InChI is InChI=1S/C6H9O6Si5/c1-2-3-4-5(6(7)8)14-10-16-12-17-11-15-9-13/h4H,2-3H2,1H3,(H,7,8)/p-1/b5-4+.
What are the key properties of CID 18704003?
CID 18704003 has a molecular weight of 316.55 g/mol, XLogP of -2.21, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18704003 is sourced from PubChem (CID 18704003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).