tert-butyl decanoate;hydrochloride

C14H29ClO2 — CID 172828660

IUPACtert-butyl decanoate;hydrochloride
SMILESCCCCCCCCCC(=O)OC(C)(C)C.Cl
InChIInChI=1S/C14H28O2.ClH/c1-5-6-7-8-9-10-11-12-13(15)16-14(2,3)4;/h5-12H2,1-4H3;1H
InChIKeyVFKDKAIICKZKBZ-UHFFFAOYSA-N
MW264.84 g/mol
LogP4.89
Rot. Bonds8

About tert-butyl decanoate;hydrochloride

tert-butyl decanoate;hydrochloride (PubChem CID 172828660) has the molecular formula C14H29ClO2 and a molecular weight of 264.84 g/mol. Its IUPAC name is tert-butyl decanoate;hydrochloride.

Molecular Properties

Compound Nametert-butyl decanoate;hydrochloride
PubChem CID172828660
Molecular FormulaC14H29ClO2
Molecular Weight264.84 g/mol
Exact Mass264.19
IUPAC Nametert-butyl decanoate;hydrochloride
SMILESCCCCCCCCCC(=O)OC(C)(C)C.Cl
InChIInChI=1S/C14H28O2.ClH/c1-5-6-7-8-9-10-11-12-13(15)16-14(2,3)4;/h5-12H2,1-4H3;1H
InChIKeyVFKDKAIICKZKBZ-UHFFFAOYSA-N
XLogP4.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.84
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl octacosanoate
CID 174872722
tert-butyl decanoate;hydrobromide
CID 172791977
butane;tert-butyl nonanoate
CID 175191905
tert-butyl dodecanoate;hydrate
CID 159574999
tert-butyl 6-oxotetradecanoate
CID 134901927
tert-butyl heptanoate;dimethylphosphane
CID 175245603
tert-butyl octanoate;oxalic acid
CID 175523196
tert-butyl 6-(4-pentoxybutoxy)hexanoate
CID 135210268
tert-butyl (Z)-triacont-21-enoate
CID 132563275
tert-butyl pentanoate;hydrazine
CID 174371267
8-O-tert-butyl 1-O-decan-4-yl octanedioate
CID 170657128
ditert-butyl pentanedioate
CID 3016405

Frequently Asked Questions

What is the IUPAC name of tert-butyl decanoate;hydrochloride?
The IUPAC name of tert-butyl decanoate;hydrochloride (CID 172828660) is tert-butyl decanoate;hydrochloride.
What is the SMILES notation for tert-butyl decanoate;hydrochloride?
The canonical SMILES for tert-butyl decanoate;hydrochloride is CCCCCCCCCC(=O)OC(C)(C)C.Cl.
What is the InChIKey of tert-butyl decanoate;hydrochloride?
The InChIKey is VFKDKAIICKZKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2.ClH/c1-5-6-7-8-9-10-11-12-13(15)16-14(2,3)4;/h5-12H2,1-4H3;1H.
What are the key properties of tert-butyl decanoate;hydrochloride?
tert-butyl decanoate;hydrochloride has a molecular weight of 264.84 g/mol, XLogP of 4.89, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl decanoate;hydrochloride is sourced from PubChem (CID 172828660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).