[(4S,5R)-dispiro[2.0.24.13]heptan-5-yl]methanol

C8H12O — CID 130928124

IUPAC[(4S,5R)-dispiro[2.0.24.13]heptan-5-yl]methanol
SMILESOC[C@@H]1C[C@]12CC21CC1
InChIInChI=1S/C8H12O/c9-4-6-3-8(6)5-7(8)1-2-7/h6,9H,1-5H2/t6-,8-/m0/s1
InChIKeyLTKJWYVADOMAGA-XPUUQOCRSA-N
MW124.18 g/mol
LogP1.17
Rot. Bonds1

About [(4S,5R)-dispiro[2.0.24.13]heptan-5-yl]methanol

[(4S,5R)-dispiro[2.0.24.13]heptan-5-yl]methanol (PubChem CID 130928124) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is [(4S,5R)-dispiro[2.0.24.13]heptan-5-yl]methanol.

Molecular Properties

Compound Name[(4S,5R)-dispiro[2.0.24.13]heptan-5-yl]methanol
PubChem CID130928124
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name[(4S,5R)-dispiro[2.0.24.13]heptan-5-yl]methanol
SMILESOC[C@@H]1C[C@]12CC21CC1
InChIInChI=1S/C8H12O/c9-4-6-3-8(6)5-7(8)1-2-7/h6,9H,1-5H2/t6-,8-/m0/s1
InChIKeyLTKJWYVADOMAGA-XPUUQOCRSA-N
XLogP1.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(4S,5R)-dispiro[2.0.24.13]heptan-5-yl]methanol?
The IUPAC name of [(4S,5R)-dispiro[2.0.24.13]heptan-5-yl]methanol (CID 130928124) is [(4S,5R)-dispiro[2.0.24.13]heptan-5-yl]methanol.
What is the SMILES notation for [(4S,5R)-dispiro[2.0.24.13]heptan-5-yl]methanol?
The canonical SMILES for [(4S,5R)-dispiro[2.0.24.13]heptan-5-yl]methanol is OC[C@@H]1C[C@]12CC21CC1.
What is the InChIKey of [(4S,5R)-dispiro[2.0.24.13]heptan-5-yl]methanol?
The InChIKey is LTKJWYVADOMAGA-XPUUQOCRSA-N. The full InChI is InChI=1S/C8H12O/c9-4-6-3-8(6)5-7(8)1-2-7/h6,9H,1-5H2/t6-,8-/m0/s1.
What are the key properties of [(4S,5R)-dispiro[2.0.24.13]heptan-5-yl]methanol?
[(4S,5R)-dispiro[2.0.24.13]heptan-5-yl]methanol has a molecular weight of 124.18 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5R)-dispiro[2.0.24.13]heptan-5-yl]methanol is sourced from PubChem (CID 130928124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).