(2-methyl-6-methylidenedec-1-en-3-yn-5-yl) 2,2-dimethylpropanoate

C17H26O2 — CID 102399231

IUPAC(2-methyl-6-methylidenedec-1-en-3-yn-5-yl) 2,2-dimethylpropanoate
SMILESC=C(C)C#CC(OC(=O)C(C)(C)C)C(=C)CCCC
InChIInChI=1S/C17H26O2/c1-8-9-10-14(4)15(12-11-13(2)3)19-16(18)17(5,6)7/h15H,2,4,8-10H2,1,3,5-7H3
InChIKeyRVSQCQONVAYLHW-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.27
Rot. Bonds5

About (2-methyl-6-methylidenedec-1-en-3-yn-5-yl) 2,2-dimethylpropanoate

(2-methyl-6-methylidenedec-1-en-3-yn-5-yl) 2,2-dimethylpropanoate (PubChem CID 102399231) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is (2-methyl-6-methylidenedec-1-en-3-yn-5-yl) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(2-methyl-6-methylidenedec-1-en-3-yn-5-yl) 2,2-dimethylpropanoate
PubChem CID102399231
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name(2-methyl-6-methylidenedec-1-en-3-yn-5-yl) 2,2-dimethylpropanoate
SMILESC=C(C)C#CC(OC(=O)C(C)(C)C)C(=C)CCCC
InChIInChI=1S/C17H26O2/c1-8-9-10-14(4)15(12-11-13(2)3)19-16(18)17(5,6)7/h15H,2,4,8-10H2,1,3,5-7H3
InChIKeyRVSQCQONVAYLHW-UHFFFAOYSA-N
XLogP4.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-6-methylidenedec-1-en-3-yn-5-yl) 2,2-dimethylpropanoate?
The IUPAC name of (2-methyl-6-methylidenedec-1-en-3-yn-5-yl) 2,2-dimethylpropanoate (CID 102399231) is (2-methyl-6-methylidenedec-1-en-3-yn-5-yl) 2,2-dimethylpropanoate.
What is the SMILES notation for (2-methyl-6-methylidenedec-1-en-3-yn-5-yl) 2,2-dimethylpropanoate?
The canonical SMILES for (2-methyl-6-methylidenedec-1-en-3-yn-5-yl) 2,2-dimethylpropanoate is C=C(C)C#CC(OC(=O)C(C)(C)C)C(=C)CCCC.
What is the InChIKey of (2-methyl-6-methylidenedec-1-en-3-yn-5-yl) 2,2-dimethylpropanoate?
The InChIKey is RVSQCQONVAYLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-8-9-10-14(4)15(12-11-13(2)3)19-16(18)17(5,6)7/h15H,2,4,8-10H2,1,3,5-7H3.
What are the key properties of (2-methyl-6-methylidenedec-1-en-3-yn-5-yl) 2,2-dimethylpropanoate?
(2-methyl-6-methylidenedec-1-en-3-yn-5-yl) 2,2-dimethylpropanoate has a molecular weight of 262.39 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-6-methylidenedec-1-en-3-yn-5-yl) 2,2-dimethylpropanoate is sourced from PubChem (CID 102399231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).