methyl 2-propan-2-yl-2-silyldecanoate

C14H30O2Si — CID 174849374

IUPACmethyl 2-propan-2-yl-2-silyldecanoate
SMILESCCCCCCCCC([SiH3])(C(=O)OC)C(C)C
InChIInChI=1S/C14H30O2Si/c1-5-6-7-8-9-10-11-14(17,12(2)3)13(15)16-4/h12H,5-11H2,1-4,17H3
InChIKeyNKTZYASQLQHCKD-UHFFFAOYSA-N
MW258.48 g/mol
LogP3.09
Rot. Bonds9

About methyl 2-propan-2-yl-2-silyldecanoate

methyl 2-propan-2-yl-2-silyldecanoate (PubChem CID 174849374) has the molecular formula C14H30O2Si and a molecular weight of 258.48 g/mol. Its IUPAC name is methyl 2-propan-2-yl-2-silyldecanoate.

Molecular Properties

Compound Namemethyl 2-propan-2-yl-2-silyldecanoate
PubChem CID174849374
Molecular FormulaC14H30O2Si
Molecular Weight258.48 g/mol
Exact Mass258.20
IUPAC Namemethyl 2-propan-2-yl-2-silyldecanoate
SMILESCCCCCCCCC([SiH3])(C(=O)OC)C(C)C
InChIInChI=1S/C14H30O2Si/c1-5-6-7-8-9-10-11-14(17,12(2)3)13(15)16-4/h12H,5-11H2,1-4,17H3
InChIKeyNKTZYASQLQHCKD-UHFFFAOYSA-N
XLogP3.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.48
LogP ≤ 53.09
H-Bond Donors ≤ 50
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

dimethyl 2,2-di(nonyl)propanedioate
CID 166760695
methyl 2-chloro-2-methyldodecanoate
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methyl 2,2-difluoroheptadecanoate
CID 150501536
methyl 2,2-difluorodecanoate
CID 22025599
azanium methyl 2,2-dimethyloctadecanoate
CID 22238515
methyl 2-hydroxy-2-methylnonanoate
CID 62212880
methyl 2-amino-2-hydroxytetradecanoate
CID 174591192
2,2-bis(methoxycarbonyl)decanoic acid
CID 137333541
methyl 2-methyl-2-sulfanylnonadecanoate
CID 88720330
azane;methyl 2-amino-2-hydroxytetradecanoate
CID 174591191
methyl 2-hydroxy-2-methylheptanoate
CID 80558778
methyl 2-(butan-2-ylamino)-2-methylheptanoate
CID 80557745

Frequently Asked Questions

What is the IUPAC name of methyl 2-propan-2-yl-2-silyldecanoate?
The IUPAC name of methyl 2-propan-2-yl-2-silyldecanoate (CID 174849374) is methyl 2-propan-2-yl-2-silyldecanoate.
What is the SMILES notation for methyl 2-propan-2-yl-2-silyldecanoate?
The canonical SMILES for methyl 2-propan-2-yl-2-silyldecanoate is CCCCCCCCC([SiH3])(C(=O)OC)C(C)C.
What is the InChIKey of methyl 2-propan-2-yl-2-silyldecanoate?
The InChIKey is NKTZYASQLQHCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2Si/c1-5-6-7-8-9-10-11-14(17,12(2)3)13(15)16-4/h12H,5-11H2,1-4,17H3.
What are the key properties of methyl 2-propan-2-yl-2-silyldecanoate?
methyl 2-propan-2-yl-2-silyldecanoate has a molecular weight of 258.48 g/mol, XLogP of 3.09, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-propan-2-yl-2-silyldecanoate is sourced from PubChem (CID 174849374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).