methyl 2-spiro[5.5]undecan-3-ylacetate

C14H24O2 — CID 118404685

IUPACmethyl 2-spiro[5.5]undecan-3-ylacetate
SMILESCOC(=O)CC1CCC2(CCCCC2)CC1
InChIInChI=1S/C14H24O2/c1-16-13(15)11-12-5-9-14(10-6-12)7-3-2-4-8-14/h12H,2-11H2,1H3
InChIKeyMVGZZFHQZQIDDD-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.69
Rot. Bonds2

About methyl 2-spiro[5.5]undecan-3-ylacetate

methyl 2-spiro[5.5]undecan-3-ylacetate (PubChem CID 118404685) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is methyl 2-spiro[5.5]undecan-3-ylacetate.

Molecular Properties

Compound Namemethyl 2-spiro[5.5]undecan-3-ylacetate
PubChem CID118404685
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Namemethyl 2-spiro[5.5]undecan-3-ylacetate
SMILESCOC(=O)CC1CCC2(CCCCC2)CC1
InChIInChI=1S/C14H24O2/c1-16-13(15)11-12-5-9-14(10-6-12)7-3-2-4-8-14/h12H,2-11H2,1H3
InChIKeyMVGZZFHQZQIDDD-UHFFFAOYSA-N
XLogP3.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 2-spiro[5.5]undecan-3-ylacetate?
The IUPAC name of methyl 2-spiro[5.5]undecan-3-ylacetate (CID 118404685) is methyl 2-spiro[5.5]undecan-3-ylacetate.
What is the SMILES notation for methyl 2-spiro[5.5]undecan-3-ylacetate?
The canonical SMILES for methyl 2-spiro[5.5]undecan-3-ylacetate is COC(=O)CC1CCC2(CCCCC2)CC1.
What is the InChIKey of methyl 2-spiro[5.5]undecan-3-ylacetate?
The InChIKey is MVGZZFHQZQIDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-16-13(15)11-12-5-9-14(10-6-12)7-3-2-4-8-14/h12H,2-11H2,1H3.
What are the key properties of methyl 2-spiro[5.5]undecan-3-ylacetate?
methyl 2-spiro[5.5]undecan-3-ylacetate has a molecular weight of 224.34 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-spiro[5.5]undecan-3-ylacetate is sourced from PubChem (CID 118404685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).