3-hydroxy-2-methylidene-1-trimethylsilyldodecan-1-one

C16H32O2Si — CID 15039578

IUPAC3-hydroxy-2-methylidene-1-trimethylsilyldodecan-1-one
SMILESC=C(C(=O)[Si](C)(C)C)C(O)CCCCCCCCC
InChIInChI=1S/C16H32O2Si/c1-6-7-8-9-10-11-12-13-15(17)14(2)16(18)19(3,4)5/h15,17H,2,6-13H2,1,3-5H3
InChIKeyVJVRSYPWSOGSNP-UHFFFAOYSA-N
MW284.52 g/mol
LogP4.49
Rot. Bonds11

About 3-hydroxy-2-methylidene-1-trimethylsilyldodecan-1-one

3-hydroxy-2-methylidene-1-trimethylsilyldodecan-1-one (PubChem CID 15039578) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is 3-hydroxy-2-methylidene-1-trimethylsilyldodecan-1-one.

Molecular Properties

Compound Name3-hydroxy-2-methylidene-1-trimethylsilyldodecan-1-one
PubChem CID15039578
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name3-hydroxy-2-methylidene-1-trimethylsilyldodecan-1-one
SMILESC=C(C(=O)[Si](C)(C)C)C(O)CCCCCCCCC
InChIInChI=1S/C16H32O2Si/c1-6-7-8-9-10-11-12-13-15(17)14(2)16(18)19(3,4)5/h15,17H,2,6-13H2,1,3-5H3
InChIKeyVJVRSYPWSOGSNP-UHFFFAOYSA-N
XLogP4.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4R)-4-hydroxy-3-methylideneundecan-2-one
CID 102477580
2-hydroxytridecanoic acid
CID 5282901
2-hydroxydecanoic acid
CID 161255514
(2R)-2-hydroxydecanoic acid
CID 13144006
2-hydroxyoctadecanoic acid
CID 87724091
3-hydroxydecan-2-one
CID 12524096
2-hydroxydocosanoate
CID 22361325
2-hydroxyoctadecanamide
CID 14598043
(2S)-2-hydroxytricosanoyl iodide
CID 98117445
(2S)-2-hydroxyoctadecanoate
CID 21145041
2-hydroxytetradecanoic acid;titanium
CID 174290276
2-hydroxyheptanoic acid
CID 2750949

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methylidene-1-trimethylsilyldodecan-1-one?
The IUPAC name of 3-hydroxy-2-methylidene-1-trimethylsilyldodecan-1-one (CID 15039578) is 3-hydroxy-2-methylidene-1-trimethylsilyldodecan-1-one.
What is the SMILES notation for 3-hydroxy-2-methylidene-1-trimethylsilyldodecan-1-one?
The canonical SMILES for 3-hydroxy-2-methylidene-1-trimethylsilyldodecan-1-one is C=C(C(=O)[Si](C)(C)C)C(O)CCCCCCCCC.
What is the InChIKey of 3-hydroxy-2-methylidene-1-trimethylsilyldodecan-1-one?
The InChIKey is VJVRSYPWSOGSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-6-7-8-9-10-11-12-13-15(17)14(2)16(18)19(3,4)5/h15,17H,2,6-13H2,1,3-5H3.
What are the key properties of 3-hydroxy-2-methylidene-1-trimethylsilyldodecan-1-one?
3-hydroxy-2-methylidene-1-trimethylsilyldodecan-1-one has a molecular weight of 284.52 g/mol, XLogP of 4.49, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methylidene-1-trimethylsilyldodecan-1-one is sourced from PubChem (CID 15039578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).