(5S,6R)-6-(hydroxymethyl)-7-methylidenespiro[2.4]heptan-5-ol

C9H14O2 — CID 143347376

IUPAC(5S,6R)-6-(hydroxymethyl)-7-methylidenespiro[2.4]heptan-5-ol
SMILESC=C1[C@H](CO)[C@@H](O)CC12CC2
InChIInChI=1S/C9H14O2/c1-6-7(5-10)8(11)4-9(6)2-3-9/h7-8,10-11H,1-5H2/t7-,8-/m0/s1
InChIKeyWMXDAXIXBAGUHU-YUMQZZPRSA-N
MW154.21 g/mol
LogP0.70
Rot. Bonds1

About (5S,6R)-6-(hydroxymethyl)-7-methylidenespiro[2.4]heptan-5-ol

(5S,6R)-6-(hydroxymethyl)-7-methylidenespiro[2.4]heptan-5-ol (PubChem CID 143347376) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (5S,6R)-6-(hydroxymethyl)-7-methylidenespiro[2.4]heptan-5-ol.

Molecular Properties

Compound Name(5S,6R)-6-(hydroxymethyl)-7-methylidenespiro[2.4]heptan-5-ol
PubChem CID143347376
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(5S,6R)-6-(hydroxymethyl)-7-methylidenespiro[2.4]heptan-5-ol
SMILESC=C1[C@H](CO)[C@@H](O)CC12CC2
InChIInChI=1S/C9H14O2/c1-6-7(5-10)8(11)4-9(6)2-3-9/h7-8,10-11H,1-5H2/t7-,8-/m0/s1
InChIKeyWMXDAXIXBAGUHU-YUMQZZPRSA-N
XLogP0.70
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S,6R)-6-(hydroxymethyl)-7-methylidenespiro[2.4]heptan-5-ol?
The IUPAC name of (5S,6R)-6-(hydroxymethyl)-7-methylidenespiro[2.4]heptan-5-ol (CID 143347376) is (5S,6R)-6-(hydroxymethyl)-7-methylidenespiro[2.4]heptan-5-ol.
What is the SMILES notation for (5S,6R)-6-(hydroxymethyl)-7-methylidenespiro[2.4]heptan-5-ol?
The canonical SMILES for (5S,6R)-6-(hydroxymethyl)-7-methylidenespiro[2.4]heptan-5-ol is C=C1[C@H](CO)[C@@H](O)CC12CC2.
What is the InChIKey of (5S,6R)-6-(hydroxymethyl)-7-methylidenespiro[2.4]heptan-5-ol?
The InChIKey is WMXDAXIXBAGUHU-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H14O2/c1-6-7(5-10)8(11)4-9(6)2-3-9/h7-8,10-11H,1-5H2/t7-,8-/m0/s1.
What are the key properties of (5S,6R)-6-(hydroxymethyl)-7-methylidenespiro[2.4]heptan-5-ol?
(5S,6R)-6-(hydroxymethyl)-7-methylidenespiro[2.4]heptan-5-ol has a molecular weight of 154.21 g/mol, XLogP of 0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-6-(hydroxymethyl)-7-methylidenespiro[2.4]heptan-5-ol is sourced from PubChem (CID 143347376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).