(2-silyloxan-2-yl) dodecanoate

C17H34O3Si — CID 174613847

IUPAC(2-silyloxan-2-yl) dodecanoate
SMILESCCCCCCCCCCCC(=O)OC1([SiH3])CCCCO1
InChIInChI=1S/C17H34O3Si/c1-2-3-4-5-6-7-8-9-10-13-16(18)20-17(21)14-11-12-15-19-17/h2-15H2,1,21H3
InChIKeyTXVWLGSTNVFDOR-UHFFFAOYSA-N
MW314.54 g/mol
LogP3.67
Rot. Bonds11

About (2-silyloxan-2-yl) dodecanoate

(2-silyloxan-2-yl) dodecanoate (PubChem CID 174613847) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is (2-silyloxan-2-yl) dodecanoate.

Molecular Properties

Compound Name(2-silyloxan-2-yl) dodecanoate
PubChem CID174613847
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Name(2-silyloxan-2-yl) dodecanoate
SMILESCCCCCCCCCCCC(=O)OC1([SiH3])CCCCO1
InChIInChI=1S/C17H34O3Si/c1-2-3-4-5-6-7-8-9-10-13-16(18)20-17(21)14-11-12-15-19-17/h2-15H2,1,21H3
InChIKeyTXVWLGSTNVFDOR-UHFFFAOYSA-N
XLogP3.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.54
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(2-methyl-1,3-dioxan-2-yl) nonanoate
CID 177076090
[dibutyl-hexanoyloxy-(2-silyloxan-2-yl)-λ6-tellanyl] hexanoate
CID 175339116
1-(1-hydroxycyclohexyl)tridecan-1-one
CID 103449729
(1-octylcyclopropyl) octanoate
CID 21488075
methyl 8-(1-heptylcyclohexyl)octanoate
CID 118260042
bis(1-pentylcyclohexyl) butanedioate
CID 174843513
(2-hexyloxan-2-yl)silane
CID 123313847
(1-ethylcyclopentyl) pentanoate
CID 123172403
(4-amino-1-bicyclo[2.2.2]octanyl) nonanoate
CID 175429769
(1-pentylcyclohexyl) butanoate
CID 101311537
2-methyl-1-(2-trimethylsilyloxan-2-yl)octadec-1-en-1-ol
CID 69168268
hexadecanoyl 1-tetradecylcycloheptane-1-carboperoxoate
CID 142756919

Frequently Asked Questions

What is the IUPAC name of (2-silyloxan-2-yl) dodecanoate?
The IUPAC name of (2-silyloxan-2-yl) dodecanoate (CID 174613847) is (2-silyloxan-2-yl) dodecanoate.
What is the SMILES notation for (2-silyloxan-2-yl) dodecanoate?
The canonical SMILES for (2-silyloxan-2-yl) dodecanoate is CCCCCCCCCCCC(=O)OC1([SiH3])CCCCO1.
What is the InChIKey of (2-silyloxan-2-yl) dodecanoate?
The InChIKey is TXVWLGSTNVFDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-2-3-4-5-6-7-8-9-10-13-16(18)20-17(21)14-11-12-15-19-17/h2-15H2,1,21H3.
What are the key properties of (2-silyloxan-2-yl) dodecanoate?
(2-silyloxan-2-yl) dodecanoate has a molecular weight of 314.54 g/mol, XLogP of 3.67, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-silyloxan-2-yl) dodecanoate is sourced from PubChem (CID 174613847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).