methyl 3-[(10R)-8,8,10-trimethyl-1,4,9-trioxaspiro[4.5]decan-10-yl]propanoate

C14H24O5 — CID 11277288

IUPACmethyl 3-[(10R)-8,8,10-trimethyl-1,4,9-trioxaspiro[4.5]decan-10-yl]propanoate
SMILESCOC(=O)CC[C@@]1(C)OC(C)(C)CCC12OCCO2
InChIInChI=1S/C14H24O5/c1-12(2)7-8-14(17-9-10-18-14)13(3,19-12)6-5-11(15)16-4/h5-10H2,1-4H3/t13-/m1/s1
InChIKeyJQKNPAQKFYQAMZ-CYBMUJFWSA-N
MW272.34 g/mol
LogP2.03
Rot. Bonds3

About methyl 3-[(10R)-8,8,10-trimethyl-1,4,9-trioxaspiro[4.5]decan-10-yl]propanoate

methyl 3-[(10R)-8,8,10-trimethyl-1,4,9-trioxaspiro[4.5]decan-10-yl]propanoate (PubChem CID 11277288) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is methyl 3-[(10R)-8,8,10-trimethyl-1,4,9-trioxaspiro[4.5]decan-10-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[(10R)-8,8,10-trimethyl-1,4,9-trioxaspiro[4.5]decan-10-yl]propanoate
PubChem CID11277288
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Namemethyl 3-[(10R)-8,8,10-trimethyl-1,4,9-trioxaspiro[4.5]decan-10-yl]propanoate
SMILESCOC(=O)CC[C@@]1(C)OC(C)(C)CCC12OCCO2
InChIInChI=1S/C14H24O5/c1-12(2)7-8-14(17-9-10-18-14)13(3,19-12)6-5-11(15)16-4/h5-10H2,1-4H3/t13-/m1/s1
InChIKeyJQKNPAQKFYQAMZ-CYBMUJFWSA-N
XLogP2.03
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3-[(10R)-8,8,10-trimethyl-1,4,9-trioxaspiro[4.5]decan-10-yl]propanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(10R)-8,8,10-trimethyl-1,4,9-trioxaspiro[4.5]decan-10-yl]propanoate?
The IUPAC name of methyl 3-[(10R)-8,8,10-trimethyl-1,4,9-trioxaspiro[4.5]decan-10-yl]propanoate (CID 11277288) is methyl 3-[(10R)-8,8,10-trimethyl-1,4,9-trioxaspiro[4.5]decan-10-yl]propanoate.
What is the SMILES notation for methyl 3-[(10R)-8,8,10-trimethyl-1,4,9-trioxaspiro[4.5]decan-10-yl]propanoate?
The canonical SMILES for methyl 3-[(10R)-8,8,10-trimethyl-1,4,9-trioxaspiro[4.5]decan-10-yl]propanoate is COC(=O)CC[C@@]1(C)OC(C)(C)CCC12OCCO2.
What is the InChIKey of methyl 3-[(10R)-8,8,10-trimethyl-1,4,9-trioxaspiro[4.5]decan-10-yl]propanoate?
The InChIKey is JQKNPAQKFYQAMZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H24O5/c1-12(2)7-8-14(17-9-10-18-14)13(3,19-12)6-5-11(15)16-4/h5-10H2,1-4H3/t13-/m1/s1.
What are the key properties of methyl 3-[(10R)-8,8,10-trimethyl-1,4,9-trioxaspiro[4.5]decan-10-yl]propanoate?
methyl 3-[(10R)-8,8,10-trimethyl-1,4,9-trioxaspiro[4.5]decan-10-yl]propanoate has a molecular weight of 272.34 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(10R)-8,8,10-trimethyl-1,4,9-trioxaspiro[4.5]decan-10-yl]propanoate is sourced from PubChem (CID 11277288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).