ethyl 2,4-dihydroxy-2-methylpentanoate;prop-1-ene;silane

C11H26O4Si — CID 174963921

IUPACethyl 2,4-dihydroxy-2-methylpentanoate;prop-1-ene;silane
SMILESC=CC.CCOC(=O)C(C)(O)CC(C)O.[SiH4]
InChIInChI=1S/C8H16O4.C3H6.H4Si/c1-4-12-7(10)8(3,11)5-6(2)9;1-3-2;/h6,9,11H,4-5H2,1-3H3;3H,1H2,2H3;1H4
InChIKeyAWUYNOUQDZEEMO-UHFFFAOYSA-N
MW250.41 g/mol
LogP-0.19
Rot. Bonds4

About ethyl 2,4-dihydroxy-2-methylpentanoate;prop-1-ene;silane

ethyl 2,4-dihydroxy-2-methylpentanoate;prop-1-ene;silane (PubChem CID 174963921) has the molecular formula C11H26O4Si and a molecular weight of 250.41 g/mol. Its IUPAC name is ethyl 2,4-dihydroxy-2-methylpentanoate;prop-1-ene;silane.

Molecular Properties

Compound Nameethyl 2,4-dihydroxy-2-methylpentanoate;prop-1-ene;silane
PubChem CID174963921
Molecular FormulaC11H26O4Si
Molecular Weight250.41 g/mol
Exact Mass250.16
IUPAC Nameethyl 2,4-dihydroxy-2-methylpentanoate;prop-1-ene;silane
SMILESC=CC.CCOC(=O)C(C)(O)CC(C)O.[SiH4]
InChIInChI=1S/C8H16O4.C3H6.H4Si/c1-4-12-7(10)8(3,11)5-6(2)9;1-3-2;/h6,9,11H,4-5H2,1-3H3;3H,1H2,2H3;1H4
InChIKeyAWUYNOUQDZEEMO-UHFFFAOYSA-N
XLogP-0.19
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-ethyl-2-hydroxy-3-methylpentanoate
CID 79298792
ethyl (2R)-2-[(1S)-1-hydroxyethyl]-2-methylpent-4-enoate
CID 13299649
ethyl (2S)-2-[(1S)-1-hydroxyethyl]-2-methylpent-4-enoate
CID 13299650
1-O-ethyl 4-O-prop-2-enyl 2,2,3,3-tetramethylbutanedioate
CID 59122625
diethyl (2R)-2-hydroxy-2-methylbutanedioate
CID 12732542
ethyl 2-hydroxy-3-methoxy-2-methylpropanoate
CID 20566521
(3-ethoxy-2-hydroxy-2-methyl-3-oxopropyl) 2,2-dimethylpropanoate
CID 58354404
ethyl (2R,3R)-2-amino-3-hydroxy-2-methylbutanoate
CID 131230217
ethyl 4-(dimethylamino)-2-hydroxy-2-methyl-4-oxobutanoate
CID 87491131
diethyl (2S)-2-hydroxy-2-methyl-4-oxopentanedioate
CID 11630017
ethyl (3R)-3-hydroxy-2,2,4-trimethylpentanoate
CID 3246222
ethyl (E)-2,2-dimethylhex-3-enoate
CID 21487406

Frequently Asked Questions

What is the IUPAC name of ethyl 2,4-dihydroxy-2-methylpentanoate;prop-1-ene;silane?
The IUPAC name of ethyl 2,4-dihydroxy-2-methylpentanoate;prop-1-ene;silane (CID 174963921) is ethyl 2,4-dihydroxy-2-methylpentanoate;prop-1-ene;silane.
What is the SMILES notation for ethyl 2,4-dihydroxy-2-methylpentanoate;prop-1-ene;silane?
The canonical SMILES for ethyl 2,4-dihydroxy-2-methylpentanoate;prop-1-ene;silane is C=CC.CCOC(=O)C(C)(O)CC(C)O.[SiH4].
What is the InChIKey of ethyl 2,4-dihydroxy-2-methylpentanoate;prop-1-ene;silane?
The InChIKey is AWUYNOUQDZEEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4.C3H6.H4Si/c1-4-12-7(10)8(3,11)5-6(2)9;1-3-2;/h6,9,11H,4-5H2,1-3H3;3H,1H2,2H3;1H4.
What are the key properties of ethyl 2,4-dihydroxy-2-methylpentanoate;prop-1-ene;silane?
ethyl 2,4-dihydroxy-2-methylpentanoate;prop-1-ene;silane has a molecular weight of 250.41 g/mol, XLogP of -0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,4-dihydroxy-2-methylpentanoate;prop-1-ene;silane is sourced from PubChem (CID 174963921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).