methyl cyclododecene-1-carboxylate

C14H24O2 — CID 54564642

IUPACmethyl cyclododecene-1-carboxylate
SMILESCOC(=O)C1=CCCCCCCCCCC1
InChIInChI=1S/C14H24O2/c1-16-14(15)13-11-9-7-5-3-2-4-6-8-10-12-13/h11H,2-10,12H2,1H3
InChIKeyZSYLKSNNCISMDE-UHFFFAOYSA-N
MW224.34 g/mol
LogP4.00
Rot. Bonds1

About methyl cyclododecene-1-carboxylate

methyl cyclododecene-1-carboxylate (PubChem CID 54564642) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is methyl cyclododecene-1-carboxylate.

Molecular Properties

Compound Namemethyl cyclododecene-1-carboxylate
PubChem CID54564642
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Namemethyl cyclododecene-1-carboxylate
SMILESCOC(=O)C1=CCCCCCCCCCC1
InChIInChI=1S/C14H24O2/c1-16-14(15)13-11-9-7-5-3-2-4-6-8-10-12-13/h11H,2-10,12H2,1H3
InChIKeyZSYLKSNNCISMDE-UHFFFAOYSA-N
XLogP4.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 8-oxocyclononene-1-carboxylate
CID 131879237
ethyl cycloundecene-1-carboxylate
CID 154164177
methyl (1E,3E)-cyclotetradeca-1,3-diene-1-carboxylate
CID 10988724
stibanyl cyclohexene-1-carboxylate
CID 174261272
cyclopropyl cycloheptene-1-carboxylate
CID 130634533
hydroxymethyl cyclohexene-1-carboxylate
CID 91001163
2,2-dimethylpropanoyl cyclohexene-1-carboxylate
CID 101420959
1-(cyclohexen-1-yl)ethanone;propane
CID 142317492
ethyl (6Z)-1-oxacyclopentadec-6-ene-7-carboxylate
CID 102299212
cycloocten-1-yl-(1-methoxycyclohexyl)methanone
CID 106652256
cyclohepten-1-yl-(1-methoxycyclopentyl)methanone
CID 106652202
cycloheptene-1-carboxamide
CID 22261654

Frequently Asked Questions

What is the IUPAC name of methyl cyclododecene-1-carboxylate?
The IUPAC name of methyl cyclododecene-1-carboxylate (CID 54564642) is methyl cyclododecene-1-carboxylate.
What is the SMILES notation for methyl cyclododecene-1-carboxylate?
The canonical SMILES for methyl cyclododecene-1-carboxylate is COC(=O)C1=CCCCCCCCCCC1.
What is the InChIKey of methyl cyclododecene-1-carboxylate?
The InChIKey is ZSYLKSNNCISMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-16-14(15)13-11-9-7-5-3-2-4-6-8-10-12-13/h11H,2-10,12H2,1H3.
What are the key properties of methyl cyclododecene-1-carboxylate?
methyl cyclododecene-1-carboxylate has a molecular weight of 224.34 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl cyclododecene-1-carboxylate is sourced from PubChem (CID 54564642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).