2-propan-2-yloxasilinane;tetradecanoic acid

C21H44O3Si — CID 173217204

IUPAC2-propan-2-yloxasilinane;tetradecanoic acid
SMILESCC(C)[SiH]1CCCCO1.CCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C14H28O2.C7H16OSi/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-7(2)9-6-4-3-5-8-9/h2-13H2,1H3,(H,15,16);7,9H,3-6H2,1-2H3
InChIKeyPJROJAFQPNUNPC-UHFFFAOYSA-N
MW372.67 g/mol
LogP6.70
Rot. Bonds13

About 2-propan-2-yloxasilinane;tetradecanoic acid

2-propan-2-yloxasilinane;tetradecanoic acid (PubChem CID 173217204) has the molecular formula C21H44O3Si and a molecular weight of 372.67 g/mol. Its IUPAC name is 2-propan-2-yloxasilinane;tetradecanoic acid.

Molecular Properties

Compound Name2-propan-2-yloxasilinane;tetradecanoic acid
PubChem CID173217204
Molecular FormulaC21H44O3Si
Molecular Weight372.67 g/mol
Exact Mass372.31
IUPAC Name2-propan-2-yloxasilinane;tetradecanoic acid
SMILESCC(C)[SiH]1CCCCO1.CCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C14H28O2.C7H16OSi/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-7(2)9-6-4-3-5-8-9/h2-13H2,1H3,(H,15,16);7,9H,3-6H2,1-2H3
InChIKeyPJROJAFQPNUNPC-UHFFFAOYSA-N
XLogP6.70
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.67
LogP ≤ 56.70
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'}

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Related Compounds

dioxane;undecanoic acid
CID 174785577
dioxane;tridecanoic acid
CID 174785517
butane;bis(dodecanoic acid)
CID 173065671
1-(oxasilinan-2-yl)octan-1-one
CID 173082141
hexanoic acid;oxirane
CID 159231946
henicosane;tetracontanoic acid
CID 175935348
bis(decanoic acid);bis(octanoic acid)
CID 160578094
decanoic acid;bis(nonanoic acid)
CID 159376136
butane;hexanoic acid
CID 87467677
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxasilinane;tetradecanoic acid?
The IUPAC name of 2-propan-2-yloxasilinane;tetradecanoic acid (CID 173217204) is 2-propan-2-yloxasilinane;tetradecanoic acid.
What is the SMILES notation for 2-propan-2-yloxasilinane;tetradecanoic acid?
The canonical SMILES for 2-propan-2-yloxasilinane;tetradecanoic acid is CC(C)[SiH]1CCCCO1.CCCCCCCCCCCCCC(=O)O.
What is the InChIKey of 2-propan-2-yloxasilinane;tetradecanoic acid?
The InChIKey is PJROJAFQPNUNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2.C7H16OSi/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-7(2)9-6-4-3-5-8-9/h2-13H2,1H3,(H,15,16);7,9H,3-6H2,1-2H3.
What are the key properties of 2-propan-2-yloxasilinane;tetradecanoic acid?
2-propan-2-yloxasilinane;tetradecanoic acid has a molecular weight of 372.67 g/mol, XLogP of 6.70, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxasilinane;tetradecanoic acid is sourced from PubChem (CID 173217204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).