2-butyl-2-dipropylsilylnonanoic acid

C19H40O2Si — CID 150316486

IUPAC2-butyl-2-dipropylsilylnonanoic acid
SMILESCCCCCCCC(CCCC)(C(=O)O)[SiH](CCC)CCC
InChIInChI=1S/C19H40O2Si/c1-5-9-11-12-13-15-19(18(20)21,14-10-6-2)22(16-7-3)17-8-4/h22H,5-17H2,1-4H3,(H,20,21)
InChIKeyGMSHCRGTCNYBAU-UHFFFAOYSA-N
MW328.61 g/mol
LogP6.41
Rot. Bonds15

About 2-butyl-2-dipropylsilylnonanoic acid

2-butyl-2-dipropylsilylnonanoic acid (PubChem CID 150316486) has the molecular formula C19H40O2Si and a molecular weight of 328.61 g/mol. Its IUPAC name is 2-butyl-2-dipropylsilylnonanoic acid.

Molecular Properties

Compound Name2-butyl-2-dipropylsilylnonanoic acid
PubChem CID150316486
Molecular FormulaC19H40O2Si
Molecular Weight328.61 g/mol
Exact Mass328.28
IUPAC Name2-butyl-2-dipropylsilylnonanoic acid
SMILESCCCCCCCC(CCCC)(C(=O)O)[SiH](CCC)CCC
InChIInChI=1S/C19H40O2Si/c1-5-9-11-12-13-15-19(18(20)21,14-10-6-2)22(16-7-3)17-8-4/h22H,5-17H2,1-4H3,(H,20,21)
InChIKeyGMSHCRGTCNYBAU-UHFFFAOYSA-N
XLogP6.41
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.61
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

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2-dodecyl-2-octyltetradecanoic acid
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CID 57072933
(2R)-2-hydroxy-2-methyloctadecanoic acid
CID 172684339
octadecane-1,1,1-tricarboxylic acid
CID 57231234
triacontane-1,1,1-tricarboxylic acid
CID 141175641
3-octadecyl-3-pentadecyl-2,2-di(tetradecyl)henicosanoic acid
CID 87337627
2-butyl-2-ethylnonanoic acid
CID 57042574
(2R)-2-dodecyl-2-hydroxytricosanoic acid
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2-decyl-2-methyltetradecanoic acid
CID 611890

Frequently Asked Questions

What is the IUPAC name of 2-butyl-2-dipropylsilylnonanoic acid?
The IUPAC name of 2-butyl-2-dipropylsilylnonanoic acid (CID 150316486) is 2-butyl-2-dipropylsilylnonanoic acid.
What is the SMILES notation for 2-butyl-2-dipropylsilylnonanoic acid?
The canonical SMILES for 2-butyl-2-dipropylsilylnonanoic acid is CCCCCCCC(CCCC)(C(=O)O)[SiH](CCC)CCC.
What is the InChIKey of 2-butyl-2-dipropylsilylnonanoic acid?
The InChIKey is GMSHCRGTCNYBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O2Si/c1-5-9-11-12-13-15-19(18(20)21,14-10-6-2)22(16-7-3)17-8-4/h22H,5-17H2,1-4H3,(H,20,21).
What are the key properties of 2-butyl-2-dipropylsilylnonanoic acid?
2-butyl-2-dipropylsilylnonanoic acid has a molecular weight of 328.61 g/mol, XLogP of 6.41, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2-dipropylsilylnonanoic acid is sourced from PubChem (CID 150316486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).