2-[[(2S)-8-tert-butyl-1-oxaspiro[4.5]decan-2-yl]oxy]ethanol

C15H28O3 — CID 169171995

IUPAC2-[[(2S)-8-tert-butyl-1-oxaspiro[4.5]decan-2-yl]oxy]ethanol
SMILESCC(C)(C)C1CCC2(CC1)CC[C@@H](OCCO)O2
InChIInChI=1S/C15H28O3/c1-14(2,3)12-4-7-15(8-5-12)9-6-13(18-15)17-11-10-16/h12-13,16H,4-11H2,1-3H3/t12?,13-,15?/m0/s1
InChIKeyVWHOTHSODKTSLH-OWYJLGKBSA-N
MW256.39 g/mol
LogP3.11
Rot. Bonds3

About 2-[[(2S)-8-tert-butyl-1-oxaspiro[4.5]decan-2-yl]oxy]ethanol

2-[[(2S)-8-tert-butyl-1-oxaspiro[4.5]decan-2-yl]oxy]ethanol (PubChem CID 169171995) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-[[(2S)-8-tert-butyl-1-oxaspiro[4.5]decan-2-yl]oxy]ethanol.

Molecular Properties

Compound Name2-[[(2S)-8-tert-butyl-1-oxaspiro[4.5]decan-2-yl]oxy]ethanol
PubChem CID169171995
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name2-[[(2S)-8-tert-butyl-1-oxaspiro[4.5]decan-2-yl]oxy]ethanol
SMILESCC(C)(C)C1CCC2(CC1)CC[C@@H](OCCO)O2
InChIInChI=1S/C15H28O3/c1-14(2,3)12-4-7-15(8-5-12)9-6-13(18-15)17-11-10-16/h12-13,16H,4-11H2,1-3H3/t12?,13-,15?/m0/s1
InChIKeyVWHOTHSODKTSLH-OWYJLGKBSA-N
XLogP3.11
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-8-tert-butyl-1-oxaspiro[4.5]decan-2-yl]oxy]ethanol?
The IUPAC name of 2-[[(2S)-8-tert-butyl-1-oxaspiro[4.5]decan-2-yl]oxy]ethanol (CID 169171995) is 2-[[(2S)-8-tert-butyl-1-oxaspiro[4.5]decan-2-yl]oxy]ethanol.
What is the SMILES notation for 2-[[(2S)-8-tert-butyl-1-oxaspiro[4.5]decan-2-yl]oxy]ethanol?
The canonical SMILES for 2-[[(2S)-8-tert-butyl-1-oxaspiro[4.5]decan-2-yl]oxy]ethanol is CC(C)(C)C1CCC2(CC1)CC[C@@H](OCCO)O2.
What is the InChIKey of 2-[[(2S)-8-tert-butyl-1-oxaspiro[4.5]decan-2-yl]oxy]ethanol?
The InChIKey is VWHOTHSODKTSLH-OWYJLGKBSA-N. The full InChI is InChI=1S/C15H28O3/c1-14(2,3)12-4-7-15(8-5-12)9-6-13(18-15)17-11-10-16/h12-13,16H,4-11H2,1-3H3/t12?,13-,15?/m0/s1.
What are the key properties of 2-[[(2S)-8-tert-butyl-1-oxaspiro[4.5]decan-2-yl]oxy]ethanol?
2-[[(2S)-8-tert-butyl-1-oxaspiro[4.5]decan-2-yl]oxy]ethanol has a molecular weight of 256.39 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-8-tert-butyl-1-oxaspiro[4.5]decan-2-yl]oxy]ethanol is sourced from PubChem (CID 169171995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).