didodecyl 2,3-bis(trimethylsilyl)butanedioate

C34H70O4Si2 — CID 85262035

IUPACdidodecyl 2,3-bis(trimethylsilyl)butanedioate
SMILESCCCCCCCCCCCCOC(=O)C(C(C(=O)OCCCCCCCCCCCC)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C34H70O4Si2/c1-9-11-13-15-17-19-21-23-25-27-29-37-33(35)31(39(3,4)5)32(40(6,7)8)34(36)38-30-28-26-24-22-20-18-16-14-12-10-2/h31-32H,9-30H2,1-8H3
InChIKeyRJFXQNOGDVSCGX-UHFFFAOYSA-N
MW599.10 g/mol
LogP11.33
Rot. Bonds27

About didodecyl 2,3-bis(trimethylsilyl)butanedioate

didodecyl 2,3-bis(trimethylsilyl)butanedioate (PubChem CID 85262035) has the molecular formula C34H70O4Si2 and a molecular weight of 599.10 g/mol. Its IUPAC name is didodecyl 2,3-bis(trimethylsilyl)butanedioate.

Molecular Properties

Compound Namedidodecyl 2,3-bis(trimethylsilyl)butanedioate
PubChem CID85262035
Molecular FormulaC34H70O4Si2
Molecular Weight599.10 g/mol
Exact Mass598.48
IUPAC Namedidodecyl 2,3-bis(trimethylsilyl)butanedioate
SMILESCCCCCCCCCCCCOC(=O)C(C(C(=O)OCCCCCCCCCCCC)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C34H70O4Si2/c1-9-11-13-15-17-19-21-23-25-27-29-37-33(35)31(39(3,4)5)32(40(6,7)8)34(36)38-30-28-26-24-22-20-18-16-14-12-10-2/h31-32H,9-30H2,1-8H3
InChIKeyRJFXQNOGDVSCGX-UHFFFAOYSA-N
XLogP11.33
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds27
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.10
LogP ≤ 511.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Dicapryl Succinate
CID 84475
1,4-Didodecyl butanedioate
CID 80082
Didecyl succinate
CID 82752
4-Oxo-4-(tetradecyloxy)butanoate
CID 21583928
Didocosyl succinate
CID 83512
Dicetyl succinate
CID 3572854
Butanedioic acid, dinonyl ester
CID 524361
Butanedioic acid, 1-dodecyl 4-octyl ester
CID 186676
4-(Octadecyloxy)-4-oxobutanoate
CID 21183567
dihexyl (2R,3S)-2,3-bis(trimethylsilyl)butanedioate
CID 10550612
didodecyl (2R,3S)-2,3-bis(trimethylsilyl)butanedioate
CID 10817359
Butanedioic acid, 1-dodecyl 4-hexyl ester
CID 187871

Frequently Asked Questions

What is the IUPAC name of didodecyl 2,3-bis(trimethylsilyl)butanedioate?
The IUPAC name of didodecyl 2,3-bis(trimethylsilyl)butanedioate (CID 85262035) is didodecyl 2,3-bis(trimethylsilyl)butanedioate.
What is the SMILES notation for didodecyl 2,3-bis(trimethylsilyl)butanedioate?
The canonical SMILES for didodecyl 2,3-bis(trimethylsilyl)butanedioate is CCCCCCCCCCCCOC(=O)C(C(C(=O)OCCCCCCCCCCCC)[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of didodecyl 2,3-bis(trimethylsilyl)butanedioate?
The InChIKey is RJFXQNOGDVSCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H70O4Si2/c1-9-11-13-15-17-19-21-23-25-27-29-37-33(35)31(39(3,4)5)32(40(6,7)8)34(36)38-30-28-26-24-22-20-18-16-14-12-10-2/h31-32H,9-30H2,1-8H3.
What are the key properties of didodecyl 2,3-bis(trimethylsilyl)butanedioate?
didodecyl 2,3-bis(trimethylsilyl)butanedioate has a molecular weight of 599.10 g/mol, XLogP of 11.33, 27 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for didodecyl 2,3-bis(trimethylsilyl)butanedioate is sourced from PubChem (CID 85262035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).