(5R,9S)-1,6-dioxaspiro[4.5]decan-9-ol

C8H14O3 — CID 130857690

IUPAC(5R,9S)-1,6-dioxaspiro[4.5]decan-9-ol
SMILESO[C@H]1CCO[C@]2(CCCO2)C1
InChIInChI=1S/C8H14O3/c9-7-2-5-11-8(6-7)3-1-4-10-8/h7,9H,1-6H2/t7-,8+/m0/s1
InChIKeyHMMAOKRBIYSPTB-JGVFFNPUSA-N
MW158.20 g/mol
LogP0.66
Rot. Bonds

About (5R,9S)-1,6-dioxaspiro[4.5]decan-9-ol

(5R,9S)-1,6-dioxaspiro[4.5]decan-9-ol (PubChem CID 130857690) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (5R,9S)-1,6-dioxaspiro[4.5]decan-9-ol.

Molecular Properties

Compound Name(5R,9S)-1,6-dioxaspiro[4.5]decan-9-ol
PubChem CID130857690
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(5R,9S)-1,6-dioxaspiro[4.5]decan-9-ol
SMILESO[C@H]1CCO[C@]2(CCCO2)C1
InChIInChI=1S/C8H14O3/c9-7-2-5-11-8(6-7)3-1-4-10-8/h7,9H,1-6H2/t7-,8+/m0/s1
InChIKeyHMMAOKRBIYSPTB-JGVFFNPUSA-N
XLogP0.66
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,6-dioxaspiro[4.5]decan-9-ol
CID 10975764
(5S,9S)-2,6-dioxaspiro[4.5]decan-9-ol
CID 95335760
1,10-dioxaspiro[4.5]decan-2-ol
CID 130129338
9-propan-2-yl-1-oxaspiro[5.6]dodecan-4-ol
CID 65090379
(2S,4R,6R)-2-(hydroxymethyl)-1,7-dioxaspiro[5.5]undecan-4-ol
CID 10058665
1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 56760832
N-methyl-1,5-dioxaspiro[5.5]undecan-10-amine
CID 83852999
(2S,3S,5S)-2-propan-2-yl-1,6-dioxaspiro[4.4]nonan-3-ol
CID 130917673
(5S)-2,2-dimethyl-3-prop-1-en-2-yl-1,6-dioxaspiro[4.4]nonane
CID 170034689
9-amino-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 121202469
(5R,9S)-6-oxa-2-azaspiro[4.5]decan-9-ol
CID 129497505
ethyl (4S,6R)-1,7-dioxaspiro[5.5]undecane-4-carboxylate
CID 101378578

Frequently Asked Questions

What is the IUPAC name of (5R,9S)-1,6-dioxaspiro[4.5]decan-9-ol?
The IUPAC name of (5R,9S)-1,6-dioxaspiro[4.5]decan-9-ol (CID 130857690) is (5R,9S)-1,6-dioxaspiro[4.5]decan-9-ol.
What is the SMILES notation for (5R,9S)-1,6-dioxaspiro[4.5]decan-9-ol?
The canonical SMILES for (5R,9S)-1,6-dioxaspiro[4.5]decan-9-ol is O[C@H]1CCO[C@]2(CCCO2)C1.
What is the InChIKey of (5R,9S)-1,6-dioxaspiro[4.5]decan-9-ol?
The InChIKey is HMMAOKRBIYSPTB-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H14O3/c9-7-2-5-11-8(6-7)3-1-4-10-8/h7,9H,1-6H2/t7-,8+/m0/s1.
What are the key properties of (5R,9S)-1,6-dioxaspiro[4.5]decan-9-ol?
(5R,9S)-1,6-dioxaspiro[4.5]decan-9-ol has a molecular weight of 158.20 g/mol, XLogP of 0.66, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,9S)-1,6-dioxaspiro[4.5]decan-9-ol is sourced from PubChem (CID 130857690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).