methyl (1E,3E)-cyclotetradeca-1,3-diene-1-carboxylate

C16H26O2 — CID 10988724

IUPACmethyl (1E,3E)-cyclotetradeca-1,3-diene-1-carboxylate
SMILESCOC(=O)/C1=C/C=C/CCCCCCCCCC1
InChIInChI=1S/C16H26O2/c1-18-16(17)15-13-11-9-7-5-3-2-4-6-8-10-12-14-15/h9,11,13H,2-8,10,12,14H2,1H3/b11-9+,15-13+
InChIKeyAWASTMYTTXEUBD-PXELCPQFSA-N
MW250.38 g/mol
LogP4.56
Rot. Bonds1

About methyl (1E,3E)-cyclotetradeca-1,3-diene-1-carboxylate

methyl (1E,3E)-cyclotetradeca-1,3-diene-1-carboxylate (PubChem CID 10988724) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is methyl (1E,3E)-cyclotetradeca-1,3-diene-1-carboxylate.

Molecular Properties

Compound Namemethyl (1E,3E)-cyclotetradeca-1,3-diene-1-carboxylate
PubChem CID10988724
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Namemethyl (1E,3E)-cyclotetradeca-1,3-diene-1-carboxylate
SMILESCOC(=O)/C1=C/C=C/CCCCCCCCCC1
InChIInChI=1S/C16H26O2/c1-18-16(17)15-13-11-9-7-5-3-2-4-6-8-10-12-14-15/h9,11,13H,2-8,10,12,14H2,1H3/b11-9+,15-13+
InChIKeyAWASTMYTTXEUBD-PXELCPQFSA-N
XLogP4.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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methyl 4-(4-acetylcyclohexa-1,3-dien-1-yl)cyclohepta-1,3-diene-1-carboxylate
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1-methylcyclodeca-1,3-diene
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(1Z,3Z)-1-methylcyclodeca-1,3-diene
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Frequently Asked Questions

What is the IUPAC name of methyl (1E,3E)-cyclotetradeca-1,3-diene-1-carboxylate?
The IUPAC name of methyl (1E,3E)-cyclotetradeca-1,3-diene-1-carboxylate (CID 10988724) is methyl (1E,3E)-cyclotetradeca-1,3-diene-1-carboxylate.
What is the SMILES notation for methyl (1E,3E)-cyclotetradeca-1,3-diene-1-carboxylate?
The canonical SMILES for methyl (1E,3E)-cyclotetradeca-1,3-diene-1-carboxylate is COC(=O)/C1=C/C=C/CCCCCCCCCC1.
What is the InChIKey of methyl (1E,3E)-cyclotetradeca-1,3-diene-1-carboxylate?
The InChIKey is AWASTMYTTXEUBD-PXELCPQFSA-N. The full InChI is InChI=1S/C16H26O2/c1-18-16(17)15-13-11-9-7-5-3-2-4-6-8-10-12-14-15/h9,11,13H,2-8,10,12,14H2,1H3/b11-9+,15-13+.
What are the key properties of methyl (1E,3E)-cyclotetradeca-1,3-diene-1-carboxylate?
methyl (1E,3E)-cyclotetradeca-1,3-diene-1-carboxylate has a molecular weight of 250.38 g/mol, XLogP of 4.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1E,3E)-cyclotetradeca-1,3-diene-1-carboxylate is sourced from PubChem (CID 10988724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).