6-[7-(oxan-2-yloxy)heptoxymethyl]-3,4-dihydro-2H-pyran

C18H32O4 — CID 15097252

IUPAC6-[7-(oxan-2-yloxy)heptoxymethyl]-3,4-dihydro-2H-pyran
SMILESC1=C(COCCCCCCCOC2CCCCO2)OCCC1
InChIInChI=1S/C18H32O4/c1(3-7-14-21-18-11-5-9-15-22-18)2-6-12-19-16-17-10-4-8-13-20-17/h10,18H,1-9,11-16H2
InChIKeyHENVSHGZBGEBLJ-UHFFFAOYSA-N
MW312.45 g/mol
LogP4.19
Rot. Bonds11

About 6-[7-(oxan-2-yloxy)heptoxymethyl]-3,4-dihydro-2H-pyran

6-[7-(oxan-2-yloxy)heptoxymethyl]-3,4-dihydro-2H-pyran (PubChem CID 15097252) has the molecular formula C18H32O4 and a molecular weight of 312.45 g/mol. Its IUPAC name is 6-[7-(oxan-2-yloxy)heptoxymethyl]-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name6-[7-(oxan-2-yloxy)heptoxymethyl]-3,4-dihydro-2H-pyran
PubChem CID15097252
Molecular FormulaC18H32O4
Molecular Weight312.45 g/mol
Exact Mass312.23
IUPAC Name6-[7-(oxan-2-yloxy)heptoxymethyl]-3,4-dihydro-2H-pyran
SMILESC1=C(COCCCCCCCOC2CCCCO2)OCCC1
InChIInChI=1S/C18H32O4/c1(3-7-14-21-18-11-5-9-15-22-18)2-6-12-19-16-17-10-4-8-13-20-17/h10,18H,1-9,11-16H2
InChIKeyHENVSHGZBGEBLJ-UHFFFAOYSA-N
XLogP4.19
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[7-(oxan-2-yloxy)heptoxymethyl]-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-[7-(oxan-2-yloxy)heptoxymethyl]-3,4-dihydro-2H-pyran?
The IUPAC name of 6-[7-(oxan-2-yloxy)heptoxymethyl]-3,4-dihydro-2H-pyran (CID 15097252) is 6-[7-(oxan-2-yloxy)heptoxymethyl]-3,4-dihydro-2H-pyran.
What is the SMILES notation for 6-[7-(oxan-2-yloxy)heptoxymethyl]-3,4-dihydro-2H-pyran?
The canonical SMILES for 6-[7-(oxan-2-yloxy)heptoxymethyl]-3,4-dihydro-2H-pyran is C1=C(COCCCCCCCOC2CCCCO2)OCCC1.
What is the InChIKey of 6-[7-(oxan-2-yloxy)heptoxymethyl]-3,4-dihydro-2H-pyran?
The InChIKey is HENVSHGZBGEBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O4/c1(3-7-14-21-18-11-5-9-15-22-18)2-6-12-19-16-17-10-4-8-13-20-17/h10,18H,1-9,11-16H2.
What are the key properties of 6-[7-(oxan-2-yloxy)heptoxymethyl]-3,4-dihydro-2H-pyran?
6-[7-(oxan-2-yloxy)heptoxymethyl]-3,4-dihydro-2H-pyran has a molecular weight of 312.45 g/mol, XLogP of 4.19, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-(oxan-2-yloxy)heptoxymethyl]-3,4-dihydro-2H-pyran is sourced from PubChem (CID 15097252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).