1-deuterio-2-dispiro[2.0.24.13]heptan-7-ylethanol

C9H14O — CID 171473077

IUPAC1-deuterio-2-dispiro[2.0.24.13]heptan-7-ylethanol
SMILES[2H]C(O)CC1C2(CC2)C12CC2
InChIInChI=1S/C9H14O/c10-6-1-7-8(2-3-8)9(7)4-5-9/h7,10H,1-6H2/i6D
InChIKeyCMIVBAWGGHMXKJ-RAMDWTOOSA-N
MW139.22 g/mol
LogP1.56
Rot. Bonds2

About 1-deuterio-2-dispiro[2.0.24.13]heptan-7-ylethanol

1-deuterio-2-dispiro[2.0.24.13]heptan-7-ylethanol (PubChem CID 171473077) has the molecular formula C9H14O and a molecular weight of 139.22 g/mol. Its IUPAC name is 1-deuterio-2-dispiro[2.0.24.13]heptan-7-ylethanol.

Molecular Properties

Compound Name1-deuterio-2-dispiro[2.0.24.13]heptan-7-ylethanol
PubChem CID171473077
Molecular FormulaC9H14O
Molecular Weight139.22 g/mol
Exact Mass139.11
IUPAC Name1-deuterio-2-dispiro[2.0.24.13]heptan-7-ylethanol
SMILES[2H]C(O)CC1C2(CC2)C12CC2
InChIInChI=1S/C9H14O/c10-6-1-7-8(2-3-8)9(7)4-5-9/h7,10H,1-6H2/i6D
InChIKeyCMIVBAWGGHMXKJ-RAMDWTOOSA-N
XLogP1.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-(2-nitrosoethyl)dispiro[2.0.24.13]heptane
CID 156639029
2-dispiro[2.0.24.13]heptan-7-ylethanol;2-dispiro[2.0.24.13]heptan-7-ylethyl methanesulfonate
CID 159833848
1-dispiro[2.0.24.13]heptan-7-ylpropan-2-one
CID 158129773
2-tricyclo[1.1.1.01,3]pentanylmethanol
CID 10975409
CID 153335953
CID 153335953
(1S,2R,3R)-3-(2-hydroxyethyl)-2-(hydroxymethyl)-1-methylcyclopentan-1-ol
CID 53483796
dideuterio-[3-[dideuterio(hydroxy)methyl]-1-bicyclo[1.1.1]pentanyl]methanol
CID 178020490
cyclopropyl(dideuterio)methanol
CID 71308818
3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1-methylpyrazole
CID 167107188
dideuterio-[(2R,3S)-2,3-dideuteriocyclopropyl]methanol
CID 10261043
2-(hydroxymethyl)-1,3,3,4-tetramethylcyclohexan-1-ol
CID 121221918
dideuterio(oxiran-2-yl)methanol
CID 10486794

Frequently Asked Questions

What is the IUPAC name of 1-deuterio-2-dispiro[2.0.24.13]heptan-7-ylethanol?
The IUPAC name of 1-deuterio-2-dispiro[2.0.24.13]heptan-7-ylethanol (CID 171473077) is 1-deuterio-2-dispiro[2.0.24.13]heptan-7-ylethanol.
What is the SMILES notation for 1-deuterio-2-dispiro[2.0.24.13]heptan-7-ylethanol?
The canonical SMILES for 1-deuterio-2-dispiro[2.0.24.13]heptan-7-ylethanol is [2H]C(O)CC1C2(CC2)C12CC2.
What is the InChIKey of 1-deuterio-2-dispiro[2.0.24.13]heptan-7-ylethanol?
The InChIKey is CMIVBAWGGHMXKJ-RAMDWTOOSA-N. The full InChI is InChI=1S/C9H14O/c10-6-1-7-8(2-3-8)9(7)4-5-9/h7,10H,1-6H2/i6D.
What are the key properties of 1-deuterio-2-dispiro[2.0.24.13]heptan-7-ylethanol?
1-deuterio-2-dispiro[2.0.24.13]heptan-7-ylethanol has a molecular weight of 139.22 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-deuterio-2-dispiro[2.0.24.13]heptan-7-ylethanol is sourced from PubChem (CID 171473077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).