CID 21463879

C19H27O7Si — CID 21463879

IUPAC—
SMILESC=CC(=O)OCCCC(CCCOC(=O)C=C)(CCCOC(=O)C=C)O[Si]
InChIInChI=1S/C19H27O7Si/c1-4-16(20)23-13-7-10-19(26-27,11-8-14-24-17(21)5-2)12-9-15-25-18(22)6-3/h4-6H,1-3,7-15H2
InChIKeyGSFKZHDYBBDHNV-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.35
Rot. Bonds16

About CID 21463879

CID 21463879 (PubChem CID 21463879) has the molecular formula C19H27O7Si and a molecular weight of 395.50 g/mol.

Molecular Properties

Compound NameCID 21463879
PubChem CID21463879
Molecular FormulaC19H27O7Si
Molecular Weight395.50 g/mol
Exact Mass395.15
IUPAC Name—
SMILESC=CC(=O)OCCCC(CCCOC(=O)C=C)(CCCOC(=O)C=C)O[Si]
InChIInChI=1S/C19H27O7Si/c1-4-16(20)23-13-7-10-19(26-27,11-8-14-24-17(21)5-2)12-9-15-25-18(22)6-3/h4-6H,1-3,7-15H2
InChIKeyGSFKZHDYBBDHNV-UHFFFAOYSA-N
XLogP2.35
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'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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(4,4-ditert-butyl-5,5-dimethylhexyl) prop-2-enoate
CID 18739244
[5,5-di(prop-2-enoyl)-9-prop-2-enoyloxynonyl] prop-2-enoate
CID 159187319
14-fluorotetradecyl prop-2-enoate
CID 142675259
11-fluoroundecyl prop-2-enoate
CID 88673047
calcium;hydride;4-hydroxybutyl prop-2-enoate
CID 175269190
[2,3-dihydroxy-6-prop-2-enoyloxy-2,3-bis(3-prop-2-enoyloxypropyl)hexanoyl] 2,3-dihydroxy-6-prop-2-enoyloxy-2,3-bis(3-prop-2-enoyloxypropyl)hexanoate
CID 141014182
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
3-carbamoyloxypropyl prop-2-enoate
CID 58831010
3-[2-[2-(3-prop-2-enoyloxypropoxy)ethoxy]ethoxy]propyl prop-2-enoate
CID 151846925

Frequently Asked Questions

What is the IUPAC name of CID 21463879?
The IUPAC name of CID 21463879 (CID 21463879) is not available.
What is the SMILES notation for CID 21463879?
The canonical SMILES for CID 21463879 is C=CC(=O)OCCCC(CCCOC(=O)C=C)(CCCOC(=O)C=C)O[Si].
What is the InChIKey of CID 21463879?
The InChIKey is GSFKZHDYBBDHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27O7Si/c1-4-16(20)23-13-7-10-19(26-27,11-8-14-24-17(21)5-2)12-9-15-25-18(22)6-3/h4-6H,1-3,7-15H2.
What are the key properties of CID 21463879?
CID 21463879 has a molecular weight of 395.50 g/mol, XLogP of 2.35, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21463879 is sourced from PubChem (CID 21463879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).