4,6-bis[tert-butyl(dimethyl)silyl]-2-methylhex-2-enoic acid

C19H40O2Si2 — CID 57042489

IUPAC4,6-bis[tert-butyl(dimethyl)silyl]-2-methylhex-2-enoic acid
SMILESCC(=CC(CC[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C19H40O2Si2/c1-15(17(20)21)14-16(23(10,11)19(5,6)7)12-13-22(8,9)18(2,3)4/h14,16H,12-13H2,1-11H3,(H,20,21)
InChIKeyJIRMRUKTAPJETA-UHFFFAOYSA-N
MW356.70 g/mol
LogP6.79
Rot. Bonds6

About 4,6-bis[tert-butyl(dimethyl)silyl]-2-methylhex-2-enoic acid

4,6-bis[tert-butyl(dimethyl)silyl]-2-methylhex-2-enoic acid (PubChem CID 57042489) has the molecular formula C19H40O2Si2 and a molecular weight of 356.70 g/mol. Its IUPAC name is 4,6-bis[tert-butyl(dimethyl)silyl]-2-methylhex-2-enoic acid.

Molecular Properties

Compound Name4,6-bis[tert-butyl(dimethyl)silyl]-2-methylhex-2-enoic acid
PubChem CID57042489
Molecular FormulaC19H40O2Si2
Molecular Weight356.70 g/mol
Exact Mass356.26
IUPAC Name4,6-bis[tert-butyl(dimethyl)silyl]-2-methylhex-2-enoic acid
SMILESCC(=CC(CC[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C19H40O2Si2/c1-15(17(20)21)14-16(23(10,11)19(5,6)7)12-13-22(8,9)18(2,3)4/h14,16H,12-13H2,1-11H3,(H,20,21)
InChIKeyJIRMRUKTAPJETA-UHFFFAOYSA-N
XLogP6.79
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.70
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

4-(hydroxymethyl)-2,5,5-trimethylhex-2-enoic acid
CID 87326471
(3S,4R)-3-[tert-butyl(dimethyl)silyl]-4-hydroxypentan-2-one
CID 100967269
(E)-4,4-dimethoxy-2-methylbut-2-enoic acid
CID 87276147
(E)-4,6-dihydroxy-2-methylhex-2-enoic acid
CID 57430856
(E)-4,4-diamino-2-methylbut-2-enoic acid
CID 122514989
(2E,5E)-4-butyl-2,6-dimethylhepta-2,5-dienedioic acid
CID 87997943
3-[tert-butyl(dimethyl)silyl]pentanedioic acid
CID 174743819
6-amino-4-(aminomethyl)-2-methylhex-2-enoic acid
CID 174842658
4-hydroxy-2-methylhex-2-enedioic acid
CID 154259109
4-(diethylamino)-2-methylhept-2-enoic acid
CID 173094922
(Z)-4-ethyl-2-methyloct-2-enoic acid
CID 5354816
6-[chloro(dimethyl)silyl]-2-methylhex-2-enoic acid
CID 91175043

Frequently Asked Questions

What is the IUPAC name of 4,6-bis[tert-butyl(dimethyl)silyl]-2-methylhex-2-enoic acid?
The IUPAC name of 4,6-bis[tert-butyl(dimethyl)silyl]-2-methylhex-2-enoic acid (CID 57042489) is 4,6-bis[tert-butyl(dimethyl)silyl]-2-methylhex-2-enoic acid.
What is the SMILES notation for 4,6-bis[tert-butyl(dimethyl)silyl]-2-methylhex-2-enoic acid?
The canonical SMILES for 4,6-bis[tert-butyl(dimethyl)silyl]-2-methylhex-2-enoic acid is CC(=CC(CC[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O.
What is the InChIKey of 4,6-bis[tert-butyl(dimethyl)silyl]-2-methylhex-2-enoic acid?
The InChIKey is JIRMRUKTAPJETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O2Si2/c1-15(17(20)21)14-16(23(10,11)19(5,6)7)12-13-22(8,9)18(2,3)4/h14,16H,12-13H2,1-11H3,(H,20,21).
What are the key properties of 4,6-bis[tert-butyl(dimethyl)silyl]-2-methylhex-2-enoic acid?
4,6-bis[tert-butyl(dimethyl)silyl]-2-methylhex-2-enoic acid has a molecular weight of 356.70 g/mol, XLogP of 6.79, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis[tert-butyl(dimethyl)silyl]-2-methylhex-2-enoic acid is sourced from PubChem (CID 57042489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).