2-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]ethanol

C10H18O3 — CID 11206230

IUPAC2-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]ethanol
SMILESOCC[C@@H]1CCCC2(C1)OCCO2
InChIInChI=1S/C10H18O3/c11-5-3-9-2-1-4-10(8-9)12-6-7-13-10/h9,11H,1-8H2/t9-/m0/s1
InChIKeyQQPLBWPJIGOXEA-VIFPVBQESA-N
MW186.25 g/mol
LogP1.30
Rot. Bonds2

About 2-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]ethanol

2-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]ethanol (PubChem CID 11206230) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]ethanol.

Molecular Properties

Compound Name2-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]ethanol
PubChem CID11206230
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]ethanol
SMILESOCC[C@@H]1CCCC2(C1)OCCO2
InChIInChI=1S/C10H18O3/c11-5-3-9-2-1-4-10(8-9)12-6-7-13-10/h9,11H,1-8H2/t9-/m0/s1
InChIKeyQQPLBWPJIGOXEA-VIFPVBQESA-N
XLogP1.30
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]ethanol?
The IUPAC name of 2-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]ethanol (CID 11206230) is 2-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]ethanol.
What is the SMILES notation for 2-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]ethanol?
The canonical SMILES for 2-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]ethanol is OCC[C@@H]1CCCC2(C1)OCCO2.
What is the InChIKey of 2-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]ethanol?
The InChIKey is QQPLBWPJIGOXEA-VIFPVBQESA-N. The full InChI is InChI=1S/C10H18O3/c11-5-3-9-2-1-4-10(8-9)12-6-7-13-10/h9,11H,1-8H2/t9-/m0/s1.
What are the key properties of 2-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]ethanol?
2-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]ethanol has a molecular weight of 186.25 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]ethanol is sourced from PubChem (CID 11206230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).