tert-butyl 2-[(3Z)-6-methyl-5-methylideneocta-1,3-dien-2-yl]oxyacetate

C16H26O3 — CID 88893369

IUPACtert-butyl 2-[(3Z)-6-methyl-5-methylideneocta-1,3-dien-2-yl]oxyacetate
SMILESC=C(/C=C\C(=C)C(C)CC)OCC(=O)OC(C)(C)C
InChIInChI=1S/C16H26O3/c1-8-12(2)13(3)9-10-14(4)18-11-15(17)19-16(5,6)7/h9-10,12H,3-4,8,11H2,1-2,5-7H3/b10-9-
InChIKeyOYABQWSCTBOXSI-KTKRTIGZSA-N
MW266.38 g/mol
LogP4.02
Rot. Bonds7

About tert-butyl 2-[(3Z)-6-methyl-5-methylideneocta-1,3-dien-2-yl]oxyacetate

tert-butyl 2-[(3Z)-6-methyl-5-methylideneocta-1,3-dien-2-yl]oxyacetate (PubChem CID 88893369) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is tert-butyl 2-[(3Z)-6-methyl-5-methylideneocta-1,3-dien-2-yl]oxyacetate.

Molecular Properties

Compound Nametert-butyl 2-[(3Z)-6-methyl-5-methylideneocta-1,3-dien-2-yl]oxyacetate
PubChem CID88893369
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Nametert-butyl 2-[(3Z)-6-methyl-5-methylideneocta-1,3-dien-2-yl]oxyacetate
SMILESC=C(/C=C\C(=C)C(C)CC)OCC(=O)OC(C)(C)C
InChIInChI=1S/C16H26O3/c1-8-12(2)13(3)9-10-14(4)18-11-15(17)19-16(5,6)7/h9-10,12H,3-4,8,11H2,1-2,5-7H3/b10-9-
InChIKeyOYABQWSCTBOXSI-KTKRTIGZSA-N
XLogP4.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(3Z)-6-methyl-5-methylideneocta-1,3-dien-2-yl]oxyacetate?
The IUPAC name of tert-butyl 2-[(3Z)-6-methyl-5-methylideneocta-1,3-dien-2-yl]oxyacetate (CID 88893369) is tert-butyl 2-[(3Z)-6-methyl-5-methylideneocta-1,3-dien-2-yl]oxyacetate.
What is the SMILES notation for tert-butyl 2-[(3Z)-6-methyl-5-methylideneocta-1,3-dien-2-yl]oxyacetate?
The canonical SMILES for tert-butyl 2-[(3Z)-6-methyl-5-methylideneocta-1,3-dien-2-yl]oxyacetate is C=C(/C=C\C(=C)C(C)CC)OCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[(3Z)-6-methyl-5-methylideneocta-1,3-dien-2-yl]oxyacetate?
The InChIKey is OYABQWSCTBOXSI-KTKRTIGZSA-N. The full InChI is InChI=1S/C16H26O3/c1-8-12(2)13(3)9-10-14(4)18-11-15(17)19-16(5,6)7/h9-10,12H,3-4,8,11H2,1-2,5-7H3/b10-9-.
What are the key properties of tert-butyl 2-[(3Z)-6-methyl-5-methylideneocta-1,3-dien-2-yl]oxyacetate?
tert-butyl 2-[(3Z)-6-methyl-5-methylideneocta-1,3-dien-2-yl]oxyacetate has a molecular weight of 266.38 g/mol, XLogP of 4.02, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(3Z)-6-methyl-5-methylideneocta-1,3-dien-2-yl]oxyacetate is sourced from PubChem (CID 88893369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).