CID 156828344

C11H21O4Si — CID 156828344

IUPAC—
SMILESCCCC=C(C)C(=O)O[Si](OCC)OCC
InChIInChI=1S/C11H21O4Si/c1-5-8-9-10(4)11(12)15-16(13-6-2)14-7-3/h9H,5-8H2,1-4H3
InChIKeySFOSAIWXOZKVDD-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.33
Rot. Bonds8

About CID 156828344

CID 156828344 (PubChem CID 156828344) has the molecular formula C11H21O4Si and a molecular weight of 245.37 g/mol.

Molecular Properties

Compound NameCID 156828344
PubChem CID156828344
Molecular FormulaC11H21O4Si
Molecular Weight245.37 g/mol
Exact Mass245.12
IUPAC Name—
SMILESCCCC=C(C)C(=O)O[Si](OCC)OCC
InChIInChI=1S/C11H21O4Si/c1-5-8-9-10(4)11(12)15-16(13-6-2)14-7-3/h9H,5-8H2,1-4H3
InChIKeySFOSAIWXOZKVDD-UHFFFAOYSA-N
XLogP2.33
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

methyl (E)-2-methylhex-2-enoate
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bis(2-methylhex-2-enoyloxy)alumanyl 2-methylhex-2-enoate
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carbamoyl 2-methylhex-2-eneperoxoate
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3-hydroxypropyl 2-methylhex-2-enoate
CID 139671823
1-oxopropan-2-yl 2-methylhex-2-enoate
CID 175307016
2-methylhex-2-enoic acid;tetrahydrofluoride
CID 174467468
N-chloro-2-methylhex-2-enamide
CID 140536869
bis(2-methylpropyl)silyl 2-methylhex-2-enoate
CID 175540666
2-methylhex-2-enamide;hydrochloride
CID 141109029
N-methoxy-2-methylhex-2-enamide
CID 159177287
methyl (E)-2-methylhept-2-enoate
CID 13122847

Frequently Asked Questions

What is the IUPAC name of CID 156828344?
The IUPAC name of CID 156828344 (CID 156828344) is not available.
What is the SMILES notation for CID 156828344?
The canonical SMILES for CID 156828344 is CCCC=C(C)C(=O)O[Si](OCC)OCC.
What is the InChIKey of CID 156828344?
The InChIKey is SFOSAIWXOZKVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21O4Si/c1-5-8-9-10(4)11(12)15-16(13-6-2)14-7-3/h9H,5-8H2,1-4H3.
What are the key properties of CID 156828344?
CID 156828344 has a molecular weight of 245.37 g/mol, XLogP of 2.33, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156828344 is sourced from PubChem (CID 156828344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).