(4S,5R)-spiro[4.5]decane-4,10-diol

C10H18O2 — CID 135069767

IUPAC(4S,5R)-spiro[4.5]decane-4,10-diol
SMILESOC1CCCC[C@]12CCC[C@@H]2O
InChIInChI=1S/C10H18O2/c11-8-4-1-2-6-10(8)7-3-5-9(10)12/h8-9,11-12H,1-7H2/t8?,9-,10-/m0/s1
InChIKeyMPHQTUMHVASIGO-AGROOBSYSA-N
MW170.25 g/mol
LogP1.45
Rot. Bonds

About (4S,5R)-spiro[4.5]decane-4,10-diol

(4S,5R)-spiro[4.5]decane-4,10-diol (PubChem CID 135069767) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (4S,5R)-spiro[4.5]decane-4,10-diol.

Molecular Properties

Compound Name(4S,5R)-spiro[4.5]decane-4,10-diol
PubChem CID135069767
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(4S,5R)-spiro[4.5]decane-4,10-diol
SMILESOC1CCCC[C@]12CCC[C@@H]2O
InChIInChI=1S/C10H18O2/c11-8-4-1-2-6-10(8)7-3-5-9(10)12/h8-9,11-12H,1-7H2/t8?,9-,10-/m0/s1
InChIKeyMPHQTUMHVASIGO-AGROOBSYSA-N
XLogP1.45
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-spiro[4.5]decane-4,10-diol?
The IUPAC name of (4S,5R)-spiro[4.5]decane-4,10-diol (CID 135069767) is (4S,5R)-spiro[4.5]decane-4,10-diol.
What is the SMILES notation for (4S,5R)-spiro[4.5]decane-4,10-diol?
The canonical SMILES for (4S,5R)-spiro[4.5]decane-4,10-diol is OC1CCCC[C@]12CCC[C@@H]2O.
What is the InChIKey of (4S,5R)-spiro[4.5]decane-4,10-diol?
The InChIKey is MPHQTUMHVASIGO-AGROOBSYSA-N. The full InChI is InChI=1S/C10H18O2/c11-8-4-1-2-6-10(8)7-3-5-9(10)12/h8-9,11-12H,1-7H2/t8?,9-,10-/m0/s1.
What are the key properties of (4S,5R)-spiro[4.5]decane-4,10-diol?
(4S,5R)-spiro[4.5]decane-4,10-diol has a molecular weight of 170.25 g/mol, XLogP of 1.45, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-spiro[4.5]decane-4,10-diol is sourced from PubChem (CID 135069767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).