(2R,3S)-2-methyl-1,4-dioxaspiro[4.5]decane-3-carbaldehyde

C10H16O3 — CID 12775349

IUPAC(2R,3S)-2-methyl-1,4-dioxaspiro[4.5]decane-3-carbaldehyde
SMILESC[C@H]1OC2(CCCCC2)O[C@@H]1C=O
InChIInChI=1S/C10H16O3/c1-8-9(7-11)13-10(12-8)5-3-2-4-6-10/h7-9H,2-6H2,1H3/t8-,9-/m1/s1
InChIKeyZOYYHLNNTVWESN-RKDXNWHRSA-N
MW184.24 g/mol
LogP1.65
Rot. Bonds1

About (2R,3S)-2-methyl-1,4-dioxaspiro[4.5]decane-3-carbaldehyde

(2R,3S)-2-methyl-1,4-dioxaspiro[4.5]decane-3-carbaldehyde (PubChem CID 12775349) has the molecular formula C10H16O3 and a molecular weight of 184.24 g/mol. Its IUPAC name is (2R,3S)-2-methyl-1,4-dioxaspiro[4.5]decane-3-carbaldehyde.

Molecular Properties

Compound Name(2R,3S)-2-methyl-1,4-dioxaspiro[4.5]decane-3-carbaldehyde
PubChem CID12775349
Molecular FormulaC10H16O3
Molecular Weight184.24 g/mol
Exact Mass184.11
IUPAC Name(2R,3S)-2-methyl-1,4-dioxaspiro[4.5]decane-3-carbaldehyde
SMILESC[C@H]1OC2(CCCCC2)O[C@@H]1C=O
InChIInChI=1S/C10H16O3/c1-8-9(7-11)13-10(12-8)5-3-2-4-6-10/h7-9H,2-6H2,1H3/t8-,9-/m1/s1
InChIKeyZOYYHLNNTVWESN-RKDXNWHRSA-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 ≤ 500184.24
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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Related Compounds

(R)-1,4-Dioxaspiro(4.5)decane-2-carboxaldehyde
CID 10855919
1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]propan-1-one
CID 12087554
1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]butan-1-one
CID 135038190
(s)-1,4-Dioxaspiro[4.5]decane-2-carbaldehyde
CID 10920941
1-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]propan-1-one
CID 11321555
2-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]acetaldehyde
CID 44473768
3-Methyl-1,4-dioxaspiro[4.5]decane-3-carbaldehyde
CID 85725965
2-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]acetaldehyde
CID 134859003
1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]pentan-1-one
CID 11287573
1-(1,4-Dioxaspiro[4.5]decan-3-yl)propan-1-one
CID 21604452
1,4-Dioxaspiro[4.5]decane-2-carbaldehyde
CID 4090075
1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]propane-1,2-dione
CID 11506735

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-1,4-dioxaspiro[4.5]decane-3-carbaldehyde?
The IUPAC name of (2R,3S)-2-methyl-1,4-dioxaspiro[4.5]decane-3-carbaldehyde (CID 12775349) is (2R,3S)-2-methyl-1,4-dioxaspiro[4.5]decane-3-carbaldehyde.
What is the SMILES notation for (2R,3S)-2-methyl-1,4-dioxaspiro[4.5]decane-3-carbaldehyde?
The canonical SMILES for (2R,3S)-2-methyl-1,4-dioxaspiro[4.5]decane-3-carbaldehyde is C[C@H]1OC2(CCCCC2)O[C@@H]1C=O.
What is the InChIKey of (2R,3S)-2-methyl-1,4-dioxaspiro[4.5]decane-3-carbaldehyde?
The InChIKey is ZOYYHLNNTVWESN-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H16O3/c1-8-9(7-11)13-10(12-8)5-3-2-4-6-10/h7-9H,2-6H2,1H3/t8-,9-/m1/s1.
What are the key properties of (2R,3S)-2-methyl-1,4-dioxaspiro[4.5]decane-3-carbaldehyde?
(2R,3S)-2-methyl-1,4-dioxaspiro[4.5]decane-3-carbaldehyde has a molecular weight of 184.24 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,3S)-2-methyl-1,4-dioxaspiro[4.5]decane-3-carbaldehyde is sourced from PubChem (CID 12775349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).