2-(2-methyl-3-trimethylsilyloxypropyl)cyclododecan-1-one

C19H38O2Si — CID 54277201

IUPAC2-(2-methyl-3-trimethylsilyloxypropyl)cyclododecan-1-one
SMILESCC(CO[Si](C)(C)C)CC1CCCCCCCCCCC1=O
InChIInChI=1S/C19H38O2Si/c1-17(16-21-22(2,3)4)15-18-13-11-9-7-5-6-8-10-12-14-19(18)20/h17-18H,5-16H2,1-4H3
InChIKeyROFRLEZPAPOZIE-UHFFFAOYSA-N
MW326.60 g/mol
LogP5.96
Rot. Bonds5

About 2-(2-methyl-3-trimethylsilyloxypropyl)cyclododecan-1-one

2-(2-methyl-3-trimethylsilyloxypropyl)cyclododecan-1-one (PubChem CID 54277201) has the molecular formula C19H38O2Si and a molecular weight of 326.60 g/mol. Its IUPAC name is 2-(2-methyl-3-trimethylsilyloxypropyl)cyclododecan-1-one.

Molecular Properties

Compound Name2-(2-methyl-3-trimethylsilyloxypropyl)cyclododecan-1-one
PubChem CID54277201
Molecular FormulaC19H38O2Si
Molecular Weight326.60 g/mol
Exact Mass326.26
IUPAC Name2-(2-methyl-3-trimethylsilyloxypropyl)cyclododecan-1-one
SMILESCC(CO[Si](C)(C)C)CC1CCCCCCCCCCC1=O
InChIInChI=1S/C19H38O2Si/c1-17(16-21-22(2,3)4)15-18-13-11-9-7-5-6-8-10-12-14-19(18)20/h17-18H,5-16H2,1-4H3
InChIKeyROFRLEZPAPOZIE-UHFFFAOYSA-N
XLogP5.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.60
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3-trimethylsilyloxypropyl)cyclododecan-1-one?
The IUPAC name of 2-(2-methyl-3-trimethylsilyloxypropyl)cyclododecan-1-one (CID 54277201) is 2-(2-methyl-3-trimethylsilyloxypropyl)cyclododecan-1-one.
What is the SMILES notation for 2-(2-methyl-3-trimethylsilyloxypropyl)cyclododecan-1-one?
The canonical SMILES for 2-(2-methyl-3-trimethylsilyloxypropyl)cyclododecan-1-one is CC(CO[Si](C)(C)C)CC1CCCCCCCCCCC1=O.
What is the InChIKey of 2-(2-methyl-3-trimethylsilyloxypropyl)cyclododecan-1-one?
The InChIKey is ROFRLEZPAPOZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O2Si/c1-17(16-21-22(2,3)4)15-18-13-11-9-7-5-6-8-10-12-14-19(18)20/h17-18H,5-16H2,1-4H3.
What are the key properties of 2-(2-methyl-3-trimethylsilyloxypropyl)cyclododecan-1-one?
2-(2-methyl-3-trimethylsilyloxypropyl)cyclododecan-1-one has a molecular weight of 326.60 g/mol, XLogP of 5.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3-trimethylsilyloxypropyl)cyclododecan-1-one is sourced from PubChem (CID 54277201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).