(3E,4R)-3-ethylidene-1-oxaspiro[4.4]nonan-4-ol

C10H16O2 — CID 11953619

IUPAC(3E,4R)-3-ethylidene-1-oxaspiro[4.4]nonan-4-ol
SMILESC/C=C1\COC2(CCCC2)[C@@H]1O
InChIInChI=1S/C10H16O2/c1-2-8-7-12-10(9(8)11)5-3-4-6-10/h2,9,11H,3-7H2,1H3/b8-2+/t9-/m1/s1
InChIKeyWKALNQKZQYCEGB-YPNJUMGQSA-N
MW168.24 g/mol
LogP1.64
Rot. Bonds

About (3E,4R)-3-ethylidene-1-oxaspiro[4.4]nonan-4-ol

(3E,4R)-3-ethylidene-1-oxaspiro[4.4]nonan-4-ol (PubChem CID 11953619) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (3E,4R)-3-ethylidene-1-oxaspiro[4.4]nonan-4-ol.

Molecular Properties

Compound Name(3E,4R)-3-ethylidene-1-oxaspiro[4.4]nonan-4-ol
PubChem CID11953619
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(3E,4R)-3-ethylidene-1-oxaspiro[4.4]nonan-4-ol
SMILESC/C=C1\COC2(CCCC2)[C@@H]1O
InChIInChI=1S/C10H16O2/c1-2-8-7-12-10(9(8)11)5-3-4-6-10/h2,9,11H,3-7H2,1H3/b8-2+/t9-/m1/s1
InChIKeyWKALNQKZQYCEGB-YPNJUMGQSA-N
XLogP1.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.64
H-Bond Donors ≤ 51
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 (3E,4R)-3-ethylidene-1-oxaspiro[4.4]nonan-4-ol?
The IUPAC name of (3E,4R)-3-ethylidene-1-oxaspiro[4.4]nonan-4-ol (CID 11953619) is (3E,4R)-3-ethylidene-1-oxaspiro[4.4]nonan-4-ol.
What is the SMILES notation for (3E,4R)-3-ethylidene-1-oxaspiro[4.4]nonan-4-ol?
The canonical SMILES for (3E,4R)-3-ethylidene-1-oxaspiro[4.4]nonan-4-ol is C/C=C1\COC2(CCCC2)[C@@H]1O.
What is the InChIKey of (3E,4R)-3-ethylidene-1-oxaspiro[4.4]nonan-4-ol?
The InChIKey is WKALNQKZQYCEGB-YPNJUMGQSA-N. The full InChI is InChI=1S/C10H16O2/c1-2-8-7-12-10(9(8)11)5-3-4-6-10/h2,9,11H,3-7H2,1H3/b8-2+/t9-/m1/s1.
What are the key properties of (3E,4R)-3-ethylidene-1-oxaspiro[4.4]nonan-4-ol?
(3E,4R)-3-ethylidene-1-oxaspiro[4.4]nonan-4-ol has a molecular weight of 168.24 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4R)-3-ethylidene-1-oxaspiro[4.4]nonan-4-ol is sourced from PubChem (CID 11953619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).