2-(3-trimethylsilylpropyl)cyclododecan-1-one

C18H36OSi — CID 10469876

IUPAC2-(3-trimethylsilylpropyl)cyclododecan-1-one
SMILESC[Si](C)(C)CCCC1CCCCCCCCCCC1=O
InChIInChI=1S/C18H36OSi/c1-20(2,3)16-12-14-17-13-10-8-6-4-5-7-9-11-15-18(17)19/h17H,4-16H2,1-3H3
InChIKeyDFFFQRJBBAOFHP-UHFFFAOYSA-N
MW296.57 g/mol
LogP6.20
Rot. Bonds4

About 2-(3-trimethylsilylpropyl)cyclododecan-1-one

2-(3-trimethylsilylpropyl)cyclododecan-1-one (PubChem CID 10469876) has the molecular formula C18H36OSi and a molecular weight of 296.57 g/mol. Its IUPAC name is 2-(3-trimethylsilylpropyl)cyclododecan-1-one.

Molecular Properties

Compound Name2-(3-trimethylsilylpropyl)cyclododecan-1-one
PubChem CID10469876
Molecular FormulaC18H36OSi
Molecular Weight296.57 g/mol
Exact Mass296.25
IUPAC Name2-(3-trimethylsilylpropyl)cyclododecan-1-one
SMILESC[Si](C)(C)CCCC1CCCCCCCCCCC1=O
InChIInChI=1S/C18H36OSi/c1-20(2,3)16-12-14-17-13-10-8-6-4-5-7-9-11-15-18(17)19/h17H,4-16H2,1-3H3
InChIKeyDFFFQRJBBAOFHP-UHFFFAOYSA-N
XLogP6.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.57
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Muskone
CID 10947
6,10,14-Trimethyl-2-pentadecanone
CID 10408
Muscone
CID 7160826
3-Methylpentadecan-2-one
CID 20648314
6-Tridecanone, 3,9-diethyl-
CID 113430
3,11-Dimethylnonacosan-2-one
CID 205987
4-Methylcyclopentadecanone
CID 118194
(6R,10R)-6,10,14-trimethylpentadecan-2-one
CID 1810793
(6S,10S)-6,10,14-trimethylpentadecan-2-one
CID 1810797
25-Methyl-10-triacontanone
CID 86172607
3S,11S-Dimethylnonacosan-2-one
CID 14211089
6-Methyl-2-octadecanone
CID 46193078

Frequently Asked Questions

What is the IUPAC name of 2-(3-trimethylsilylpropyl)cyclododecan-1-one?
The IUPAC name of 2-(3-trimethylsilylpropyl)cyclododecan-1-one (CID 10469876) is 2-(3-trimethylsilylpropyl)cyclododecan-1-one.
What is the SMILES notation for 2-(3-trimethylsilylpropyl)cyclododecan-1-one?
The canonical SMILES for 2-(3-trimethylsilylpropyl)cyclododecan-1-one is C[Si](C)(C)CCCC1CCCCCCCCCCC1=O.
What is the InChIKey of 2-(3-trimethylsilylpropyl)cyclododecan-1-one?
The InChIKey is DFFFQRJBBAOFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36OSi/c1-20(2,3)16-12-14-17-13-10-8-6-4-5-7-9-11-15-18(17)19/h17H,4-16H2,1-3H3.
What are the key properties of 2-(3-trimethylsilylpropyl)cyclododecan-1-one?
2-(3-trimethylsilylpropyl)cyclododecan-1-one has a molecular weight of 296.57 g/mol, XLogP of 6.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-trimethylsilylpropyl)cyclododecan-1-one is sourced from PubChem (CID 10469876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).