(3R)-3-(oxan-2-yloxy)tetradecanal

C19H36O3 — CID 14852578

IUPAC(3R)-3-(oxan-2-yloxy)tetradecanal
SMILESCCCCCCCCCCC[C@H](CC=O)OC1CCCCO1
InChIInChI=1S/C19H36O3/c1-2-3-4-5-6-7-8-9-10-13-18(15-16-20)22-19-14-11-12-17-21-19/h16,18-19H,2-15,17H2,1H3/t18-,19?/m1/s1
InChIKeySMWRPBBMZSLPFD-MRTLOADZSA-N
MW312.49 g/mol
LogP5.41
Rot. Bonds14

About (3R)-3-(oxan-2-yloxy)tetradecanal

(3R)-3-(oxan-2-yloxy)tetradecanal (PubChem CID 14852578) has the molecular formula C19H36O3 and a molecular weight of 312.49 g/mol. Its IUPAC name is (3R)-3-(oxan-2-yloxy)tetradecanal.

Molecular Properties

Compound Name(3R)-3-(oxan-2-yloxy)tetradecanal
PubChem CID14852578
Molecular FormulaC19H36O3
Molecular Weight312.49 g/mol
Exact Mass312.27
IUPAC Name(3R)-3-(oxan-2-yloxy)tetradecanal
SMILESCCCCCCCCCCC[C@H](CC=O)OC1CCCCO1
InChIInChI=1S/C19H36O3/c1-2-3-4-5-6-7-8-9-10-13-18(15-16-20)22-19-14-11-12-17-21-19/h16,18-19H,2-15,17H2,1H3/t18-,19?/m1/s1
InChIKeySMWRPBBMZSLPFD-MRTLOADZSA-N
XLogP5.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.49
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(oxan-2-yloxy)tetradecanal?
The IUPAC name of (3R)-3-(oxan-2-yloxy)tetradecanal (CID 14852578) is (3R)-3-(oxan-2-yloxy)tetradecanal.
What is the SMILES notation for (3R)-3-(oxan-2-yloxy)tetradecanal?
The canonical SMILES for (3R)-3-(oxan-2-yloxy)tetradecanal is CCCCCCCCCCC[C@H](CC=O)OC1CCCCO1.
What is the InChIKey of (3R)-3-(oxan-2-yloxy)tetradecanal?
The InChIKey is SMWRPBBMZSLPFD-MRTLOADZSA-N. The full InChI is InChI=1S/C19H36O3/c1-2-3-4-5-6-7-8-9-10-13-18(15-16-20)22-19-14-11-12-17-21-19/h16,18-19H,2-15,17H2,1H3/t18-,19?/m1/s1.
What are the key properties of (3R)-3-(oxan-2-yloxy)tetradecanal?
(3R)-3-(oxan-2-yloxy)tetradecanal has a molecular weight of 312.49 g/mol, XLogP of 5.41, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(oxan-2-yloxy)tetradecanal is sourced from PubChem (CID 14852578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).