(2R,3S)-3-methyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-carbaldehyde

C10H16O3 — CID 10965201

IUPAC(2R,3S)-3-methyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-carbaldehyde
SMILESCC(C)OC1C=C[C@H](C)[C@H](C=O)O1
InChIInChI=1S/C10H16O3/c1-7(2)12-10-5-4-8(3)9(6-11)13-10/h4-10H,1-3H3/t8-,9-,10?/m0/s1
InChIKeyOITTXKLFODQRBU-XMCUXHSSSA-N
MW184.23 g/mol
LogP1.53
Rot. Bonds3

About (2R,3S)-3-methyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-carbaldehyde

(2R,3S)-3-methyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-carbaldehyde (PubChem CID 10965201) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (2R,3S)-3-methyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-carbaldehyde.

Molecular Properties

Compound Name(2R,3S)-3-methyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-carbaldehyde
PubChem CID10965201
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(2R,3S)-3-methyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-carbaldehyde
SMILESCC(C)OC1C=C[C@H](C)[C@H](C=O)O1
InChIInChI=1S/C10H16O3/c1-7(2)12-10-5-4-8(3)9(6-11)13-10/h4-10H,1-3H3/t8-,9-,10?/m0/s1
InChIKeyOITTXKLFODQRBU-XMCUXHSSSA-N
XLogP1.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R,3S)-3-methyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-methyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-carbaldehyde?
The IUPAC name of (2R,3S)-3-methyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-carbaldehyde (CID 10965201) is (2R,3S)-3-methyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-carbaldehyde.
What is the SMILES notation for (2R,3S)-3-methyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-carbaldehyde?
The canonical SMILES for (2R,3S)-3-methyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-carbaldehyde is CC(C)OC1C=C[C@H](C)[C@H](C=O)O1.
What is the InChIKey of (2R,3S)-3-methyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-carbaldehyde?
The InChIKey is OITTXKLFODQRBU-XMCUXHSSSA-N. The full InChI is InChI=1S/C10H16O3/c1-7(2)12-10-5-4-8(3)9(6-11)13-10/h4-10H,1-3H3/t8-,9-,10?/m0/s1.
What are the key properties of (2R,3S)-3-methyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-carbaldehyde?
(2R,3S)-3-methyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-carbaldehyde has a molecular weight of 184.23 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-methyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-carbaldehyde is sourced from PubChem (CID 10965201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).