(3R)-3-ethyl-1,4-dioxaspiro[4.5]decane-3-carbaldehyde

C11H18O3 — CID 11008907

IUPAC(3R)-3-ethyl-1,4-dioxaspiro[4.5]decane-3-carbaldehyde
SMILESCC[C@]1(C=O)COC2(CCCCC2)O1
InChIInChI=1S/C11H18O3/c1-2-10(8-12)9-13-11(14-10)6-4-3-5-7-11/h8H,2-7,9H2,1H3/t10-/m0/s1
InChIKeyJGQRLEMRZJIUAB-JTQLQIEISA-N
MW198.26 g/mol
LogP2.04
Rot. Bonds2

About (3R)-3-ethyl-1,4-dioxaspiro[4.5]decane-3-carbaldehyde

(3R)-3-ethyl-1,4-dioxaspiro[4.5]decane-3-carbaldehyde (PubChem CID 11008907) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is (3R)-3-ethyl-1,4-dioxaspiro[4.5]decane-3-carbaldehyde.

Molecular Properties

Compound Name(3R)-3-ethyl-1,4-dioxaspiro[4.5]decane-3-carbaldehyde
PubChem CID11008907
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name(3R)-3-ethyl-1,4-dioxaspiro[4.5]decane-3-carbaldehyde
SMILESCC[C@]1(C=O)COC2(CCCCC2)O1
InChIInChI=1S/C11H18O3/c1-2-10(8-12)9-13-11(14-10)6-4-3-5-7-11/h8H,2-7,9H2,1H3/t10-/m0/s1
InChIKeyJGQRLEMRZJIUAB-JTQLQIEISA-N
XLogP2.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethyl-1,4-dioxaspiro[4.5]decane-3-carbaldehyde?
The IUPAC name of (3R)-3-ethyl-1,4-dioxaspiro[4.5]decane-3-carbaldehyde (CID 11008907) is (3R)-3-ethyl-1,4-dioxaspiro[4.5]decane-3-carbaldehyde.
What is the SMILES notation for (3R)-3-ethyl-1,4-dioxaspiro[4.5]decane-3-carbaldehyde?
The canonical SMILES for (3R)-3-ethyl-1,4-dioxaspiro[4.5]decane-3-carbaldehyde is CC[C@]1(C=O)COC2(CCCCC2)O1.
What is the InChIKey of (3R)-3-ethyl-1,4-dioxaspiro[4.5]decane-3-carbaldehyde?
The InChIKey is JGQRLEMRZJIUAB-JTQLQIEISA-N. The full InChI is InChI=1S/C11H18O3/c1-2-10(8-12)9-13-11(14-10)6-4-3-5-7-11/h8H,2-7,9H2,1H3/t10-/m0/s1.
What are the key properties of (3R)-3-ethyl-1,4-dioxaspiro[4.5]decane-3-carbaldehyde?
(3R)-3-ethyl-1,4-dioxaspiro[4.5]decane-3-carbaldehyde has a molecular weight of 198.26 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethyl-1,4-dioxaspiro[4.5]decane-3-carbaldehyde is sourced from PubChem (CID 11008907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).