(2S,4S)-2-(hexoxymethyl)-4-tetradecyloxolane

C25H50O2 — CID 18644160

IUPAC(2S,4S)-2-(hexoxymethyl)-4-tetradecyloxolane
SMILESCCCCCCCCCCCCCC[C@@H]1CO[C@H](COCCCCCC)C1
InChIInChI=1S/C25H50O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-24-21-25(27-22-24)23-26-20-18-8-6-4-2/h24-25H,3-23H2,1-2H3/t24-,25-/m0/s1
InChIKeyDDAGBRIPJLXOGA-DQEYMECFSA-N
MW382.67 g/mol
LogP8.08
Rot. Bonds20

About (2S,4S)-2-(hexoxymethyl)-4-tetradecyloxolane

(2S,4S)-2-(hexoxymethyl)-4-tetradecyloxolane (PubChem CID 18644160) has the molecular formula C25H50O2 and a molecular weight of 382.67 g/mol. Its IUPAC name is (2S,4S)-2-(hexoxymethyl)-4-tetradecyloxolane.

Molecular Properties

Compound Name(2S,4S)-2-(hexoxymethyl)-4-tetradecyloxolane
PubChem CID18644160
Molecular FormulaC25H50O2
Molecular Weight382.67 g/mol
Exact Mass382.38
IUPAC Name(2S,4S)-2-(hexoxymethyl)-4-tetradecyloxolane
SMILESCCCCCCCCCCCCCC[C@@H]1CO[C@H](COCCCCCC)C1
InChIInChI=1S/C25H50O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-24-21-25(27-22-24)23-26-20-18-8-6-4-2/h24-25H,3-23H2,1-2H3/t24-,25-/m0/s1
InChIKeyDDAGBRIPJLXOGA-DQEYMECFSA-N
XLogP8.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.67
LogP ≤ 58.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-(hexoxymethyl)-4-tetradecyloxolane?
The IUPAC name of (2S,4S)-2-(hexoxymethyl)-4-tetradecyloxolane (CID 18644160) is (2S,4S)-2-(hexoxymethyl)-4-tetradecyloxolane.
What is the SMILES notation for (2S,4S)-2-(hexoxymethyl)-4-tetradecyloxolane?
The canonical SMILES for (2S,4S)-2-(hexoxymethyl)-4-tetradecyloxolane is CCCCCCCCCCCCCC[C@@H]1CO[C@H](COCCCCCC)C1.
What is the InChIKey of (2S,4S)-2-(hexoxymethyl)-4-tetradecyloxolane?
The InChIKey is DDAGBRIPJLXOGA-DQEYMECFSA-N. The full InChI is InChI=1S/C25H50O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-24-21-25(27-22-24)23-26-20-18-8-6-4-2/h24-25H,3-23H2,1-2H3/t24-,25-/m0/s1.
What are the key properties of (2S,4S)-2-(hexoxymethyl)-4-tetradecyloxolane?
(2S,4S)-2-(hexoxymethyl)-4-tetradecyloxolane has a molecular weight of 382.67 g/mol, XLogP of 8.08, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-(hexoxymethyl)-4-tetradecyloxolane is sourced from PubChem (CID 18644160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).