(4S,5R,12R)-spiro[4.7]dodecane-4,12-diol

C12H22O2 — CID 11127251

IUPAC(4S,5R,12R)-spiro[4.7]dodecane-4,12-diol
SMILESO[C@@H]1CCCCCC[C@]12CCC[C@@H]2O
InChIInChI=1S/C12H22O2/c13-10-6-3-1-2-4-8-12(10)9-5-7-11(12)14/h10-11,13-14H,1-9H2/t10-,11+,12+/m1/s1
InChIKeyMSJZOOVSZKGBSI-WOPDTQHZSA-N
MW198.31 g/mol
LogP2.23
Rot. Bonds

About (4S,5R,12R)-spiro[4.7]dodecane-4,12-diol

(4S,5R,12R)-spiro[4.7]dodecane-4,12-diol (PubChem CID 11127251) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (4S,5R,12R)-spiro[4.7]dodecane-4,12-diol.

Molecular Properties

Compound Name(4S,5R,12R)-spiro[4.7]dodecane-4,12-diol
PubChem CID11127251
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(4S,5R,12R)-spiro[4.7]dodecane-4,12-diol
SMILESO[C@@H]1CCCCCC[C@]12CCC[C@@H]2O
InChIInChI=1S/C12H22O2/c13-10-6-3-1-2-4-8-12(10)9-5-7-11(12)14/h10-11,13-14H,1-9H2/t10-,11+,12+/m1/s1
InChIKeyMSJZOOVSZKGBSI-WOPDTQHZSA-N
XLogP2.23
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S,5R,12R)-spiro[4.7]dodecane-4,12-diol?
The IUPAC name of (4S,5R,12R)-spiro[4.7]dodecane-4,12-diol (CID 11127251) is (4S,5R,12R)-spiro[4.7]dodecane-4,12-diol.
What is the SMILES notation for (4S,5R,12R)-spiro[4.7]dodecane-4,12-diol?
The canonical SMILES for (4S,5R,12R)-spiro[4.7]dodecane-4,12-diol is O[C@@H]1CCCCCC[C@]12CCC[C@@H]2O.
What is the InChIKey of (4S,5R,12R)-spiro[4.7]dodecane-4,12-diol?
The InChIKey is MSJZOOVSZKGBSI-WOPDTQHZSA-N. The full InChI is InChI=1S/C12H22O2/c13-10-6-3-1-2-4-8-12(10)9-5-7-11(12)14/h10-11,13-14H,1-9H2/t10-,11+,12+/m1/s1.
What are the key properties of (4S,5R,12R)-spiro[4.7]dodecane-4,12-diol?
(4S,5R,12R)-spiro[4.7]dodecane-4,12-diol has a molecular weight of 198.31 g/mol, XLogP of 2.23, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R,12R)-spiro[4.7]dodecane-4,12-diol is sourced from PubChem (CID 11127251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).