3-(methoxymethyl)-8-methylspiro[4.5]decane

C13H24O — CID 155331552

IUPAC3-(methoxymethyl)-8-methylspiro[4.5]decane
SMILESCOCC1CCC2(CCC(C)CC2)C1
InChIInChI=1S/C13H24O/c1-11-3-6-13(7-4-11)8-5-12(9-13)10-14-2/h11-12H,3-10H2,1-2H3
InChIKeyQCUZSPTVKUBPHE-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.63
Rot. Bonds2

About 3-(methoxymethyl)-8-methylspiro[4.5]decane

3-(methoxymethyl)-8-methylspiro[4.5]decane (PubChem CID 155331552) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 3-(methoxymethyl)-8-methylspiro[4.5]decane.

Molecular Properties

Compound Name3-(methoxymethyl)-8-methylspiro[4.5]decane
PubChem CID155331552
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name3-(methoxymethyl)-8-methylspiro[4.5]decane
SMILESCOCC1CCC2(CCC(C)CC2)C1
InChIInChI=1S/C13H24O/c1-11-3-6-13(7-4-11)8-5-12(9-13)10-14-2/h11-12H,3-10H2,1-2H3
InChIKeyQCUZSPTVKUBPHE-UHFFFAOYSA-N
XLogP3.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-8-methylspiro[4.5]decane?
The IUPAC name of 3-(methoxymethyl)-8-methylspiro[4.5]decane (CID 155331552) is 3-(methoxymethyl)-8-methylspiro[4.5]decane.
What is the SMILES notation for 3-(methoxymethyl)-8-methylspiro[4.5]decane?
The canonical SMILES for 3-(methoxymethyl)-8-methylspiro[4.5]decane is COCC1CCC2(CCC(C)CC2)C1.
What is the InChIKey of 3-(methoxymethyl)-8-methylspiro[4.5]decane?
The InChIKey is QCUZSPTVKUBPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-11-3-6-13(7-4-11)8-5-12(9-13)10-14-2/h11-12H,3-10H2,1-2H3.
What are the key properties of 3-(methoxymethyl)-8-methylspiro[4.5]decane?
3-(methoxymethyl)-8-methylspiro[4.5]decane has a molecular weight of 196.33 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-8-methylspiro[4.5]decane is sourced from PubChem (CID 155331552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).