[(5S)-6,10,10-trimethyl-1-oxaspiro[4.5]decan-6-yl] propanoate

C15H26O3 — CID 123973894

IUPAC[(5S)-6,10,10-trimethyl-1-oxaspiro[4.5]decan-6-yl] propanoate
SMILESCCC(=O)OC1(C)CCCC(C)(C)[C@@]12CCCO2
InChIInChI=1S/C15H26O3/c1-5-12(16)18-14(4)9-6-8-13(2,3)15(14)10-7-11-17-15/h5-11H2,1-4H3/t14?,15-/m0/s1
InChIKeyXZMZGUODNNDBHG-LOACHALJSA-N
MW254.37 g/mol
LogP3.46
Rot. Bonds2

About [(5S)-6,10,10-trimethyl-1-oxaspiro[4.5]decan-6-yl] propanoate

[(5S)-6,10,10-trimethyl-1-oxaspiro[4.5]decan-6-yl] propanoate (PubChem CID 123973894) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is [(5S)-6,10,10-trimethyl-1-oxaspiro[4.5]decan-6-yl] propanoate.

Molecular Properties

Compound Name[(5S)-6,10,10-trimethyl-1-oxaspiro[4.5]decan-6-yl] propanoate
PubChem CID123973894
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name[(5S)-6,10,10-trimethyl-1-oxaspiro[4.5]decan-6-yl] propanoate
SMILESCCC(=O)OC1(C)CCCC(C)(C)[C@@]12CCCO2
InChIInChI=1S/C15H26O3/c1-5-12(16)18-14(4)9-6-8-13(2,3)15(14)10-7-11-17-15/h5-11H2,1-4H3/t14?,15-/m0/s1
InChIKeyXZMZGUODNNDBHG-LOACHALJSA-N
XLogP3.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,6,10,10-tetramethyl-1-oxaspiro[4.5]decan-6-yl) propanoate
CID 23346566
2,2,3-triethoxy-3-methyloxane
CID 150971833
1-[(2R)-2-ethyloxolan-2-yl]ethanone
CID 167251842
[2-(propanoyloxymethyl)oxolan-2-yl] 2-methylprop-2-enoate
CID 151672583
(1-ethenylcyclohexyl) propanoate
CID 21115640
ethyl 4,4-dimethyl-2-propyl-1-oxaspiro[2.4]heptane-2-carboxylate
CID 83047841
1-[(1R)-1,2,2-trimethylcyclopentyl]ethanone
CID 45086010
[2-(2-methyl-1,3-dioxolan-2-yl)acetyl] 2-(2-methyl-1,3-dioxolan-2-yl)acetate
CID 154641855
ethyl 4-(2-methyloxan-2-yl)-4-oxobutanoate
CID 80681018
methyl 2-chloro-4,4-dimethyl-1-oxaspiro[2.4]heptane-2-carboxylate
CID 103354800
[1-(nitromethyl)cyclohexyl] propanoate
CID 23506315
(1-ethenylcyclopentyl) propanoate
CID 146487266

Frequently Asked Questions

What is the IUPAC name of [(5S)-6,10,10-trimethyl-1-oxaspiro[4.5]decan-6-yl] propanoate?
The IUPAC name of [(5S)-6,10,10-trimethyl-1-oxaspiro[4.5]decan-6-yl] propanoate (CID 123973894) is [(5S)-6,10,10-trimethyl-1-oxaspiro[4.5]decan-6-yl] propanoate.
What is the SMILES notation for [(5S)-6,10,10-trimethyl-1-oxaspiro[4.5]decan-6-yl] propanoate?
The canonical SMILES for [(5S)-6,10,10-trimethyl-1-oxaspiro[4.5]decan-6-yl] propanoate is CCC(=O)OC1(C)CCCC(C)(C)[C@@]12CCCO2.
What is the InChIKey of [(5S)-6,10,10-trimethyl-1-oxaspiro[4.5]decan-6-yl] propanoate?
The InChIKey is XZMZGUODNNDBHG-LOACHALJSA-N. The full InChI is InChI=1S/C15H26O3/c1-5-12(16)18-14(4)9-6-8-13(2,3)15(14)10-7-11-17-15/h5-11H2,1-4H3/t14?,15-/m0/s1.
What are the key properties of [(5S)-6,10,10-trimethyl-1-oxaspiro[4.5]decan-6-yl] propanoate?
[(5S)-6,10,10-trimethyl-1-oxaspiro[4.5]decan-6-yl] propanoate has a molecular weight of 254.37 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-6,10,10-trimethyl-1-oxaspiro[4.5]decan-6-yl] propanoate is sourced from PubChem (CID 123973894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).