(3E)-3-ethylidene-1-oxaspiro[4.5]decan-2-ol

C11H18O2 — CID 10352330

IUPAC(3E)-3-ethylidene-1-oxaspiro[4.5]decan-2-ol
SMILESC/C=C1\CC2(CCCCC2)OC1O
InChIInChI=1S/C11H18O2/c1-2-9-8-11(13-10(9)12)6-4-3-5-7-11/h2,10,12H,3-8H2,1H3/b9-2+
InChIKeyDTPIRZJLJIIEDI-XNWCZRBMSA-N
MW182.26 g/mol
LogP2.37
Rot. Bonds

About (3E)-3-ethylidene-1-oxaspiro[4.5]decan-2-ol

(3E)-3-ethylidene-1-oxaspiro[4.5]decan-2-ol (PubChem CID 10352330) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (3E)-3-ethylidene-1-oxaspiro[4.5]decan-2-ol.

Molecular Properties

Compound Name(3E)-3-ethylidene-1-oxaspiro[4.5]decan-2-ol
PubChem CID10352330
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(3E)-3-ethylidene-1-oxaspiro[4.5]decan-2-ol
SMILESC/C=C1\CC2(CCCCC2)OC1O
InChIInChI=1S/C11H18O2/c1-2-9-8-11(13-10(9)12)6-4-3-5-7-11/h2,10,12H,3-8H2,1H3/b9-2+
InChIKeyDTPIRZJLJIIEDI-XNWCZRBMSA-N
XLogP2.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.37
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)-3-ethylidene-1-oxaspiro[4.5]decan-2-ol?
The IUPAC name of (3E)-3-ethylidene-1-oxaspiro[4.5]decan-2-ol (CID 10352330) is (3E)-3-ethylidene-1-oxaspiro[4.5]decan-2-ol.
What is the SMILES notation for (3E)-3-ethylidene-1-oxaspiro[4.5]decan-2-ol?
The canonical SMILES for (3E)-3-ethylidene-1-oxaspiro[4.5]decan-2-ol is C/C=C1\CC2(CCCCC2)OC1O.
What is the InChIKey of (3E)-3-ethylidene-1-oxaspiro[4.5]decan-2-ol?
The InChIKey is DTPIRZJLJIIEDI-XNWCZRBMSA-N. The full InChI is InChI=1S/C11H18O2/c1-2-9-8-11(13-10(9)12)6-4-3-5-7-11/h2,10,12H,3-8H2,1H3/b9-2+.
What are the key properties of (3E)-3-ethylidene-1-oxaspiro[4.5]decan-2-ol?
(3E)-3-ethylidene-1-oxaspiro[4.5]decan-2-ol has a molecular weight of 182.26 g/mol, XLogP of 2.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-ethylidene-1-oxaspiro[4.5]decan-2-ol is sourced from PubChem (CID 10352330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).