6-[2,8-bis(oxan-2-yloxy)octoxymethyl]-3,4-dihydro-2H-pyran

C24H42O6 — CID 15097265

IUPAC6-[2,8-bis(oxan-2-yloxy)octoxymethyl]-3,4-dihydro-2H-pyran
SMILESC1=C(COCC(CCCCCCOC2CCCCO2)OC2CCCCO2)OCCC1
InChIInChI=1S/C24H42O6/c1(2-7-16-27-23-13-5-9-17-28-23)3-12-22(30-24-14-6-10-18-29-24)20-25-19-21-11-4-8-15-26-21/h11,22-24H,1-10,12-20H2
InChIKeyKXKOSTCZYYRWOT-UHFFFAOYSA-N
MW426.59 g/mol
LogP5.10
Rot. Bonds14

About 6-[2,8-bis(oxan-2-yloxy)octoxymethyl]-3,4-dihydro-2H-pyran

6-[2,8-bis(oxan-2-yloxy)octoxymethyl]-3,4-dihydro-2H-pyran (PubChem CID 15097265) has the molecular formula C24H42O6 and a molecular weight of 426.59 g/mol. Its IUPAC name is 6-[2,8-bis(oxan-2-yloxy)octoxymethyl]-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name6-[2,8-bis(oxan-2-yloxy)octoxymethyl]-3,4-dihydro-2H-pyran
PubChem CID15097265
Molecular FormulaC24H42O6
Molecular Weight426.59 g/mol
Exact Mass426.30
IUPAC Name6-[2,8-bis(oxan-2-yloxy)octoxymethyl]-3,4-dihydro-2H-pyran
SMILESC1=C(COCC(CCCCCCOC2CCCCO2)OC2CCCCO2)OCCC1
InChIInChI=1S/C24H42O6/c1(2-7-16-27-23-13-5-9-17-28-23)3-12-22(30-24-14-6-10-18-29-24)20-25-19-21-11-4-8-15-26-21/h11,22-24H,1-10,12-20H2
InChIKeyKXKOSTCZYYRWOT-UHFFFAOYSA-N
XLogP5.10
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.59
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-[2,8-bis(oxan-2-yloxy)octoxymethyl]-3,4-dihydro-2H-pyran 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 6-[2,8-bis(oxan-2-yloxy)octoxymethyl]-3,4-dihydro-2H-pyran?
The IUPAC name of 6-[2,8-bis(oxan-2-yloxy)octoxymethyl]-3,4-dihydro-2H-pyran (CID 15097265) is 6-[2,8-bis(oxan-2-yloxy)octoxymethyl]-3,4-dihydro-2H-pyran.
What is the SMILES notation for 6-[2,8-bis(oxan-2-yloxy)octoxymethyl]-3,4-dihydro-2H-pyran?
The canonical SMILES for 6-[2,8-bis(oxan-2-yloxy)octoxymethyl]-3,4-dihydro-2H-pyran is C1=C(COCC(CCCCCCOC2CCCCO2)OC2CCCCO2)OCCC1.
What is the InChIKey of 6-[2,8-bis(oxan-2-yloxy)octoxymethyl]-3,4-dihydro-2H-pyran?
The InChIKey is KXKOSTCZYYRWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O6/c1(2-7-16-27-23-13-5-9-17-28-23)3-12-22(30-24-14-6-10-18-29-24)20-25-19-21-11-4-8-15-26-21/h11,22-24H,1-10,12-20H2.
What are the key properties of 6-[2,8-bis(oxan-2-yloxy)octoxymethyl]-3,4-dihydro-2H-pyran?
6-[2,8-bis(oxan-2-yloxy)octoxymethyl]-3,4-dihydro-2H-pyran has a molecular weight of 426.59 g/mol, XLogP of 5.10, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,8-bis(oxan-2-yloxy)octoxymethyl]-3,4-dihydro-2H-pyran is sourced from PubChem (CID 15097265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).