(2R,3R)-2-ethyl-3-methyl-1,4-dioxaspiro[4.4]nonane-3-carbaldehyde

C11H18O3 — CID 10888880

IUPAC(2R,3R)-2-ethyl-3-methyl-1,4-dioxaspiro[4.4]nonane-3-carbaldehyde
SMILESCC[C@H]1OC2(CCCC2)O[C@@]1(C)C=O
InChIInChI=1S/C11H18O3/c1-3-9-10(2,8-12)14-11(13-9)6-4-5-7-11/h8-9H,3-7H2,1-2H3/t9-,10+/m1/s1
InChIKeyYLLDCLDLCWKWPD-ZJUUUORDSA-N
MW198.26 g/mol
LogP2.04
Rot. Bonds2

About (2R,3R)-2-ethyl-3-methyl-1,4-dioxaspiro[4.4]nonane-3-carbaldehyde

(2R,3R)-2-ethyl-3-methyl-1,4-dioxaspiro[4.4]nonane-3-carbaldehyde (PubChem CID 10888880) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is (2R,3R)-2-ethyl-3-methyl-1,4-dioxaspiro[4.4]nonane-3-carbaldehyde.

Molecular Properties

Compound Name(2R,3R)-2-ethyl-3-methyl-1,4-dioxaspiro[4.4]nonane-3-carbaldehyde
PubChem CID10888880
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name(2R,3R)-2-ethyl-3-methyl-1,4-dioxaspiro[4.4]nonane-3-carbaldehyde
SMILESCC[C@H]1OC2(CCCC2)O[C@@]1(C)C=O
InChIInChI=1S/C11H18O3/c1-3-9-10(2,8-12)14-11(13-9)6-4-5-7-11/h8-9H,3-7H2,1-2H3/t9-,10+/m1/s1
InChIKeyYLLDCLDLCWKWPD-ZJUUUORDSA-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 (2R,3R)-2-ethyl-3-methyl-1,4-dioxaspiro[4.4]nonane-3-carbaldehyde?
The IUPAC name of (2R,3R)-2-ethyl-3-methyl-1,4-dioxaspiro[4.4]nonane-3-carbaldehyde (CID 10888880) is (2R,3R)-2-ethyl-3-methyl-1,4-dioxaspiro[4.4]nonane-3-carbaldehyde.
What is the SMILES notation for (2R,3R)-2-ethyl-3-methyl-1,4-dioxaspiro[4.4]nonane-3-carbaldehyde?
The canonical SMILES for (2R,3R)-2-ethyl-3-methyl-1,4-dioxaspiro[4.4]nonane-3-carbaldehyde is CC[C@H]1OC2(CCCC2)O[C@@]1(C)C=O.
What is the InChIKey of (2R,3R)-2-ethyl-3-methyl-1,4-dioxaspiro[4.4]nonane-3-carbaldehyde?
The InChIKey is YLLDCLDLCWKWPD-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H18O3/c1-3-9-10(2,8-12)14-11(13-9)6-4-5-7-11/h8-9H,3-7H2,1-2H3/t9-,10+/m1/s1.
What are the key properties of (2R,3R)-2-ethyl-3-methyl-1,4-dioxaspiro[4.4]nonane-3-carbaldehyde?
(2R,3R)-2-ethyl-3-methyl-1,4-dioxaspiro[4.4]nonane-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 (2R,3R)-2-ethyl-3-methyl-1,4-dioxaspiro[4.4]nonane-3-carbaldehyde is sourced from PubChem (CID 10888880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).