[3-hydroxy-6-methoxy-4-(2-propylpentanoyloxy)oxan-2-yl]methyl 2-propylpentanoate

C23H42O7 — CID 146706328

IUPAC[3-hydroxy-6-methoxy-4-(2-propylpentanoyloxy)oxan-2-yl]methyl 2-propylpentanoate
SMILESCCCC(CCC)C(=O)OCC1OC(OC)CC(OC(=O)C(CCC)CCC)C1O
InChIInChI=1S/C23H42O7/c1-6-10-16(11-7-2)22(25)28-15-19-21(24)18(14-20(27-5)29-19)30-23(26)17(12-8-3)13-9-4/h16-21,24H,6-15H2,1-5H3
InChIKeyQYOMQRWHNDNBCD-UHFFFAOYSA-N
MW430.58 g/mol
LogP4.00
Rot. Bonds14

About [3-hydroxy-6-methoxy-4-(2-propylpentanoyloxy)oxan-2-yl]methyl 2-propylpentanoate

[3-hydroxy-6-methoxy-4-(2-propylpentanoyloxy)oxan-2-yl]methyl 2-propylpentanoate (PubChem CID 146706328) has the molecular formula C23H42O7 and a molecular weight of 430.58 g/mol. Its IUPAC name is [3-hydroxy-6-methoxy-4-(2-propylpentanoyloxy)oxan-2-yl]methyl 2-propylpentanoate.

Molecular Properties

Compound Name[3-hydroxy-6-methoxy-4-(2-propylpentanoyloxy)oxan-2-yl]methyl 2-propylpentanoate
PubChem CID146706328
Molecular FormulaC23H42O7
Molecular Weight430.58 g/mol
Exact Mass430.29
IUPAC Name[3-hydroxy-6-methoxy-4-(2-propylpentanoyloxy)oxan-2-yl]methyl 2-propylpentanoate
SMILESCCCC(CCC)C(=O)OCC1OC(OC)CC(OC(=O)C(CCC)CCC)C1O
InChIInChI=1S/C23H42O7/c1-6-10-16(11-7-2)22(25)28-15-19-21(24)18(14-20(27-5)29-19)30-23(26)17(12-8-3)13-9-4/h16-21,24H,6-15H2,1-5H3
InChIKeyQYOMQRWHNDNBCD-UHFFFAOYSA-N
XLogP4.00
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.58
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [3-hydroxy-6-methoxy-4-(2-propylpentanoyloxy)oxan-2-yl]methyl 2-propylpentanoate 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 [3-hydroxy-6-methoxy-4-(2-propylpentanoyloxy)oxan-2-yl]methyl 2-propylpentanoate?
The IUPAC name of [3-hydroxy-6-methoxy-4-(2-propylpentanoyloxy)oxan-2-yl]methyl 2-propylpentanoate (CID 146706328) is [3-hydroxy-6-methoxy-4-(2-propylpentanoyloxy)oxan-2-yl]methyl 2-propylpentanoate.
What is the SMILES notation for [3-hydroxy-6-methoxy-4-(2-propylpentanoyloxy)oxan-2-yl]methyl 2-propylpentanoate?
The canonical SMILES for [3-hydroxy-6-methoxy-4-(2-propylpentanoyloxy)oxan-2-yl]methyl 2-propylpentanoate is CCCC(CCC)C(=O)OCC1OC(OC)CC(OC(=O)C(CCC)CCC)C1O.
What is the InChIKey of [3-hydroxy-6-methoxy-4-(2-propylpentanoyloxy)oxan-2-yl]methyl 2-propylpentanoate?
The InChIKey is QYOMQRWHNDNBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42O7/c1-6-10-16(11-7-2)22(25)28-15-19-21(24)18(14-20(27-5)29-19)30-23(26)17(12-8-3)13-9-4/h16-21,24H,6-15H2,1-5H3.
What are the key properties of [3-hydroxy-6-methoxy-4-(2-propylpentanoyloxy)oxan-2-yl]methyl 2-propylpentanoate?
[3-hydroxy-6-methoxy-4-(2-propylpentanoyloxy)oxan-2-yl]methyl 2-propylpentanoate has a molecular weight of 430.58 g/mol, XLogP of 4.00, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-6-methoxy-4-(2-propylpentanoyloxy)oxan-2-yl]methyl 2-propylpentanoate is sourced from PubChem (CID 146706328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).