dec-9-enyl 2,2-dimethylpropanoate

C15H28O2 — CID 102300633

IUPACdec-9-enyl 2,2-dimethylpropanoate
SMILESC=CCCCCCCCCOC(=O)C(C)(C)C
InChIInChI=1S/C15H28O2/c1-5-6-7-8-9-10-11-12-13-17-14(16)15(2,3)4/h5H,1,6-13H2,2-4H3
InChIKeyOMBDRXOEIOUQON-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.49
Rot. Bonds9

About dec-9-enyl 2,2-dimethylpropanoate

dec-9-enyl 2,2-dimethylpropanoate (PubChem CID 102300633) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is dec-9-enyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Namedec-9-enyl 2,2-dimethylpropanoate
PubChem CID102300633
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Namedec-9-enyl 2,2-dimethylpropanoate
SMILESC=CCCCCCCCCOC(=O)C(C)(C)C
InChIInChI=1S/C15H28O2/c1-5-6-7-8-9-10-11-12-13-17-14(16)15(2,3)4/h5H,1,6-13H2,2-4H3
InChIKeyOMBDRXOEIOUQON-UHFFFAOYSA-N
XLogP4.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

11-Tetradecenyl acetate, (11E)-
CID 5367650
11-Tetradecenyl acetate, (11Z)-
CID 5367692
(Z)-9-Tetradecenyl acetate
CID 5364714
Ethyl 10-undecenoate
CID 12729
Butyl 10-undecenoate
CID 61027
9,12-Tetradecadien-1-ol, 1-acetate, (9E,12Z)-
CID 6436633
Ethyl 9-decenoate
CID 522255
(Z)-7-dodecenyl acetate
CID 5363527
9-Decenyl acetate
CID 39801
10-Undecen-1-yl acetate
CID 61035
8-Dodecenyl acetate, (8E)-
CID 5363237
8-Dodecen-1-ol, 1-acetate, (8Z)-
CID 5363377

Frequently Asked Questions

What is the IUPAC name of dec-9-enyl 2,2-dimethylpropanoate?
The IUPAC name of dec-9-enyl 2,2-dimethylpropanoate (CID 102300633) is dec-9-enyl 2,2-dimethylpropanoate.
What is the SMILES notation for dec-9-enyl 2,2-dimethylpropanoate?
The canonical SMILES for dec-9-enyl 2,2-dimethylpropanoate is C=CCCCCCCCCOC(=O)C(C)(C)C.
What is the InChIKey of dec-9-enyl 2,2-dimethylpropanoate?
The InChIKey is OMBDRXOEIOUQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-5-6-7-8-9-10-11-12-13-17-14(16)15(2,3)4/h5H,1,6-13H2,2-4H3.
What are the key properties of dec-9-enyl 2,2-dimethylpropanoate?
dec-9-enyl 2,2-dimethylpropanoate has a molecular weight of 240.39 g/mol, XLogP of 4.49, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dec-9-enyl 2,2-dimethylpropanoate is sourced from PubChem (CID 102300633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).