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

C10H16O3 — CID 14733139

IUPAC(2R)-3,3-dimethyl-1,4-dioxaspiro[4.4]nonane-2-carbaldehyde
SMILESCC1(C)OC2(CCCC2)O[C@H]1C=O
InChIInChI=1S/C10H16O3/c1-9(2)8(7-11)12-10(13-9)5-3-4-6-10/h7-8H,3-6H2,1-2H3/t8-/m0/s1
InChIKeyTWSIOPPJMVNENZ-QMMMGPOBSA-N
MW184.23 g/mol
LogP1.65
Rot. Bonds1

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

(2R)-3,3-dimethyl-1,4-dioxaspiro[4.4]nonane-2-carbaldehyde (PubChem CID 14733139) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (2R)-3,3-dimethyl-1,4-dioxaspiro[4.4]nonane-2-carbaldehyde.

Molecular Properties

Compound Name(2R)-3,3-dimethyl-1,4-dioxaspiro[4.4]nonane-2-carbaldehyde
PubChem CID14733139
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(2R)-3,3-dimethyl-1,4-dioxaspiro[4.4]nonane-2-carbaldehyde
SMILESCC1(C)OC2(CCCC2)O[C@H]1C=O
InChIInChI=1S/C10H16O3/c1-9(2)8(7-11)12-10(13-9)5-3-4-6-10/h7-8H,3-6H2,1-2H3/t8-/m0/s1
InChIKeyTWSIOPPJMVNENZ-QMMMGPOBSA-N
XLogP1.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.65
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)-3,3-dimethyl-1,4-dioxaspiro[4.4]nonane-2-carbaldehyde?
The IUPAC name of (2R)-3,3-dimethyl-1,4-dioxaspiro[4.4]nonane-2-carbaldehyde (CID 14733139) is (2R)-3,3-dimethyl-1,4-dioxaspiro[4.4]nonane-2-carbaldehyde.
What is the SMILES notation for (2R)-3,3-dimethyl-1,4-dioxaspiro[4.4]nonane-2-carbaldehyde?
The canonical SMILES for (2R)-3,3-dimethyl-1,4-dioxaspiro[4.4]nonane-2-carbaldehyde is CC1(C)OC2(CCCC2)O[C@H]1C=O.
What is the InChIKey of (2R)-3,3-dimethyl-1,4-dioxaspiro[4.4]nonane-2-carbaldehyde?
The InChIKey is TWSIOPPJMVNENZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16O3/c1-9(2)8(7-11)12-10(13-9)5-3-4-6-10/h7-8H,3-6H2,1-2H3/t8-/m0/s1.
What are the key properties of (2R)-3,3-dimethyl-1,4-dioxaspiro[4.4]nonane-2-carbaldehyde?
(2R)-3,3-dimethyl-1,4-dioxaspiro[4.4]nonane-2-carbaldehyde has a molecular weight of 184.23 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3-dimethyl-1,4-dioxaspiro[4.4]nonane-2-carbaldehyde is sourced from PubChem (CID 14733139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).