(5S,9S)-1-oxaspiro[4.4]nonan-9-ol

C8H14O2 — CID 10820630

IUPAC(5S,9S)-1-oxaspiro[4.4]nonan-9-ol
SMILESO[C@H]1CCC[C@]12CCCO2
InChIInChI=1S/C8H14O2/c9-7-3-1-4-8(7)5-2-6-10-8/h7,9H,1-6H2/t7-,8-/m0/s1
InChIKeyQMGAMSPPYOCSLC-YUMQZZPRSA-N
MW142.20 g/mol
LogP1.08
Rot. Bonds

About (5S,9S)-1-oxaspiro[4.4]nonan-9-ol

(5S,9S)-1-oxaspiro[4.4]nonan-9-ol (PubChem CID 10820630) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (5S,9S)-1-oxaspiro[4.4]nonan-9-ol.

Molecular Properties

Compound Name(5S,9S)-1-oxaspiro[4.4]nonan-9-ol
PubChem CID10820630
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(5S,9S)-1-oxaspiro[4.4]nonan-9-ol
SMILESO[C@H]1CCC[C@]12CCCO2
InChIInChI=1S/C8H14O2/c9-7-3-1-4-8(7)5-2-6-10-8/h7,9H,1-6H2/t7-,8-/m0/s1
InChIKeyQMGAMSPPYOCSLC-YUMQZZPRSA-N
XLogP1.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Oxaspiro[4.4]nonan-3-ol
CID 127263526
(1-Oxaspiro[4.4]nonan-2-yl)methanol
CID 14667614
(5S,9R)-1-oxaspiro[4.4]nonan-9-ol
CID 10678352
2-Ethoxy-2-methylcyclopentanol
CID 129798901
11-Oxa-dispiro[4.0.4.1]undecan-1-ol
CID 558562
2-Methyl-2-propoxycyclopentan-1-ol
CID 21896003
1-(2-Tetrahydrofuranyl)cyclopentanol
CID 21896329
rel-(3aS,6S,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol
CID 58035449
(2S,3aS,6R,6aR)-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a,6-diol
CID 58231574
Cyclopentyl(oxolan-2-yl)methanol
CID 65331247
2-Cyclopentyl-1-(oxolan-2-yl)ethanol
CID 65331527
(2R,6R,6aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol
CID 66927614

Frequently Asked Questions

What is the IUPAC name of (5S,9S)-1-oxaspiro[4.4]nonan-9-ol?
The IUPAC name of (5S,9S)-1-oxaspiro[4.4]nonan-9-ol (CID 10820630) is (5S,9S)-1-oxaspiro[4.4]nonan-9-ol.
What is the SMILES notation for (5S,9S)-1-oxaspiro[4.4]nonan-9-ol?
The canonical SMILES for (5S,9S)-1-oxaspiro[4.4]nonan-9-ol is O[C@H]1CCC[C@]12CCCO2.
What is the InChIKey of (5S,9S)-1-oxaspiro[4.4]nonan-9-ol?
The InChIKey is QMGAMSPPYOCSLC-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H14O2/c9-7-3-1-4-8(7)5-2-6-10-8/h7,9H,1-6H2/t7-,8-/m0/s1.
What are the key properties of (5S,9S)-1-oxaspiro[4.4]nonan-9-ol?
(5S,9S)-1-oxaspiro[4.4]nonan-9-ol has a molecular weight of 142.20 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9S)-1-oxaspiro[4.4]nonan-9-ol is sourced from PubChem (CID 10820630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).