2-[(15R)-13-methyl-15-[[(2R)-6-methyloxan-2-yl]oxymethyl]-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde

C25H38O6 — CID 173493876

IUPAC2-[(15R)-13-methyl-15-[[(2R)-6-methyloxan-2-yl]oxymethyl]-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
SMILESCC1=C[C@H](CO[C@H]2CCCC(C)O2)COC(=O)CCCCC(CC=O)CCC(=O)C=C1
InChIInChI=1S/C25H38O6/c1-19-10-12-23(27)13-11-21(14-15-26)7-3-4-8-24(28)29-17-22(16-19)18-30-25-9-5-6-20(2)31-25/h10,12,15-16,20-22,25H,3-9,11,13-14,17-18H2,1-2H3/t20?,21?,22-,25+/m0/s1
InChIKeyHUPYXUQEGNUKSN-BBLPBDBVSA-N
MW434.57 g/mol
LogP4.71
Rot. Bonds5

About 2-[(15R)-13-methyl-15-[[(2R)-6-methyloxan-2-yl]oxymethyl]-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde

2-[(15R)-13-methyl-15-[[(2R)-6-methyloxan-2-yl]oxymethyl]-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde (PubChem CID 173493876) has the molecular formula C25H38O6 and a molecular weight of 434.57 g/mol. Its IUPAC name is 2-[(15R)-13-methyl-15-[[(2R)-6-methyloxan-2-yl]oxymethyl]-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(15R)-13-methyl-15-[[(2R)-6-methyloxan-2-yl]oxymethyl]-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
PubChem CID173493876
Molecular FormulaC25H38O6
Molecular Weight434.57 g/mol
Exact Mass434.27
IUPAC Name2-[(15R)-13-methyl-15-[[(2R)-6-methyloxan-2-yl]oxymethyl]-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
SMILESCC1=C[C@H](CO[C@H]2CCCC(C)O2)COC(=O)CCCCC(CC=O)CCC(=O)C=C1
InChIInChI=1S/C25H38O6/c1-19-10-12-23(27)13-11-21(14-15-26)7-3-4-8-24(28)29-17-22(16-19)18-30-25-9-5-6-20(2)31-25/h10,12,15-16,20-22,25H,3-9,11,13-14,17-18H2,1-2H3/t20?,21?,22-,25+/m0/s1
InChIKeyHUPYXUQEGNUKSN-BBLPBDBVSA-N
XLogP4.71
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[(15R)-13-methyl-15-[[(2R)-6-methyloxan-2-yl]oxymethyl]-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde 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 2-[(15R)-13-methyl-15-[[(2R)-6-methyloxan-2-yl]oxymethyl]-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde?
The IUPAC name of 2-[(15R)-13-methyl-15-[[(2R)-6-methyloxan-2-yl]oxymethyl]-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde (CID 173493876) is 2-[(15R)-13-methyl-15-[[(2R)-6-methyloxan-2-yl]oxymethyl]-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde.
What is the SMILES notation for 2-[(15R)-13-methyl-15-[[(2R)-6-methyloxan-2-yl]oxymethyl]-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde?
The canonical SMILES for 2-[(15R)-13-methyl-15-[[(2R)-6-methyloxan-2-yl]oxymethyl]-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde is CC1=C[C@H](CO[C@H]2CCCC(C)O2)COC(=O)CCCCC(CC=O)CCC(=O)C=C1.
What is the InChIKey of 2-[(15R)-13-methyl-15-[[(2R)-6-methyloxan-2-yl]oxymethyl]-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde?
The InChIKey is HUPYXUQEGNUKSN-BBLPBDBVSA-N. The full InChI is InChI=1S/C25H38O6/c1-19-10-12-23(27)13-11-21(14-15-26)7-3-4-8-24(28)29-17-22(16-19)18-30-25-9-5-6-20(2)31-25/h10,12,15-16,20-22,25H,3-9,11,13-14,17-18H2,1-2H3/t20?,21?,22-,25+/m0/s1.
What are the key properties of 2-[(15R)-13-methyl-15-[[(2R)-6-methyloxan-2-yl]oxymethyl]-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde?
2-[(15R)-13-methyl-15-[[(2R)-6-methyloxan-2-yl]oxymethyl]-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde has a molecular weight of 434.57 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(15R)-13-methyl-15-[[(2R)-6-methyloxan-2-yl]oxymethyl]-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde is sourced from PubChem (CID 173493876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).