dimethyl 2-pentyl-2,4-bis(trimethylsilyl)pentanedioate

C18H38O4Si2 — CID 14436001

IUPACdimethyl 2-pentyl-2,4-bis(trimethylsilyl)pentanedioate
SMILESCCCCCC(CC(C(=O)OC)[Si](C)(C)C)(C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C18H38O4Si2/c1-10-11-12-13-18(17(20)22-3,24(7,8)9)14-15(16(19)21-2)23(4,5)6/h15H,10-14H2,1-9H3
InChIKeyCYKOJKULMHJZAZ-UHFFFAOYSA-N
MW374.67 g/mol
LogP5.09
Rot. Bonds10

About dimethyl 2-pentyl-2,4-bis(trimethylsilyl)pentanedioate

dimethyl 2-pentyl-2,4-bis(trimethylsilyl)pentanedioate (PubChem CID 14436001) has the molecular formula C18H38O4Si2 and a molecular weight of 374.67 g/mol. Its IUPAC name is dimethyl 2-pentyl-2,4-bis(trimethylsilyl)pentanedioate.

Molecular Properties

Compound Namedimethyl 2-pentyl-2,4-bis(trimethylsilyl)pentanedioate
PubChem CID14436001
Molecular FormulaC18H38O4Si2
Molecular Weight374.67 g/mol
Exact Mass374.23
IUPAC Namedimethyl 2-pentyl-2,4-bis(trimethylsilyl)pentanedioate
SMILESCCCCCC(CC(C(=O)OC)[Si](C)(C)C)(C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C18H38O4Si2/c1-10-11-12-13-18(17(20)22-3,24(7,8)9)14-15(16(19)21-2)23(4,5)6/h15H,10-14H2,1-9H3
InChIKeyCYKOJKULMHJZAZ-UHFFFAOYSA-N
XLogP5.09
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.67
LogP ≤ 55.09
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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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-pentyl-2,4-bis(trimethylsilyl)pentanedioate?
The IUPAC name of dimethyl 2-pentyl-2,4-bis(trimethylsilyl)pentanedioate (CID 14436001) is dimethyl 2-pentyl-2,4-bis(trimethylsilyl)pentanedioate.
What is the SMILES notation for dimethyl 2-pentyl-2,4-bis(trimethylsilyl)pentanedioate?
The canonical SMILES for dimethyl 2-pentyl-2,4-bis(trimethylsilyl)pentanedioate is CCCCCC(CC(C(=O)OC)[Si](C)(C)C)(C(=O)OC)[Si](C)(C)C.
What is the InChIKey of dimethyl 2-pentyl-2,4-bis(trimethylsilyl)pentanedioate?
The InChIKey is CYKOJKULMHJZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O4Si2/c1-10-11-12-13-18(17(20)22-3,24(7,8)9)14-15(16(19)21-2)23(4,5)6/h15H,10-14H2,1-9H3.
What are the key properties of dimethyl 2-pentyl-2,4-bis(trimethylsilyl)pentanedioate?
dimethyl 2-pentyl-2,4-bis(trimethylsilyl)pentanedioate has a molecular weight of 374.67 g/mol, XLogP of 5.09, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-pentyl-2,4-bis(trimethylsilyl)pentanedioate is sourced from PubChem (CID 14436001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).