1-O-(2-methylpropyl) 10-O-naphthalen-2-yl decanedioate

C24H32O4 — CID 91718888

IUPAC1-O-(2-methylpropyl) 10-O-naphthalen-2-yl decanedioate
SMILESCC(C)COC(=O)CCCCCCCCC(=O)Oc1ccc2ccccc2c1
InChIInChI=1S/C24H32O4/c1-19(2)18-27-23(25)13-7-5-3-4-6-8-14-24(26)28-22-16-15-20-11-9-10-12-21(20)17-22/h9-12,15-17,19H,3-8,13-14,18H2,1-2H3
InChIKeyQLBQHFWYOLFEMM-UHFFFAOYSA-N
MW384.52 g/mol
LogP6.07
Rot. Bonds12

About 1-O-(2-methylpropyl) 10-O-naphthalen-2-yl decanedioate

1-O-(2-methylpropyl) 10-O-naphthalen-2-yl decanedioate (PubChem CID 91718888) has the molecular formula C24H32O4 and a molecular weight of 384.52 g/mol. Its IUPAC name is 1-O-(2-methylpropyl) 10-O-naphthalen-2-yl decanedioate.

Molecular Properties

Compound Name1-O-(2-methylpropyl) 10-O-naphthalen-2-yl decanedioate
PubChem CID91718888
Molecular FormulaC24H32O4
Molecular Weight384.52 g/mol
Exact Mass384.23
IUPAC Name1-O-(2-methylpropyl) 10-O-naphthalen-2-yl decanedioate
SMILESCC(C)COC(=O)CCCCCCCCC(=O)Oc1ccc2ccccc2c1
InChIInChI=1S/C24H32O4/c1-19(2)18-27-23(25)13-7-5-3-4-6-8-14-24(26)28-22-16-15-20-11-9-10-12-21(20)17-22/h9-12,15-17,19H,3-8,13-14,18H2,1-2H3
InChIKeyQLBQHFWYOLFEMM-UHFFFAOYSA-N
XLogP6.07
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-O-(2-methylpropyl) 10-O-naphthalen-2-yl decanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-O-(2-methylpropyl) 7-O-naphthalen-2-yl heptanedioate
CID 91718854
7-O-naphthalen-2-yl 1-O-pentyl heptanedioate
CID 91718857
8-naphthalen-2-yloxy-8-oxooctanoic acid
CID 70617046
10-O-(4-bromophenyl) 1-O-(2-methylpropyl) decanedioate
CID 91729127
5-O-(2-methylpropyl) 1-O-(naphthalen-2-ylmethyl) pentanedioate
CID 91717144
naphthalen-2-yl undec-10-enoate
CID 4206376
1-O-(2-methylpropyl) 10-O-(2-propan-2-ylphenyl) decanedioate
CID 91715646
naphthalen-2-yl hexadecanoate;phenyl hexadecanoate
CID 157132352
naphthalen-2-yl 4-bromobutanoate
CID 532375
naphthalen-2-yl 3-aminopropanoate
CID 82113672
naphthalen-2-yl 4-chlorobutanoate
CID 532367
1-O-(8-chlorooctyl) 5-O-naphthalen-2-yl pentanedioate
CID 91718745

Frequently Asked Questions

What is the IUPAC name of 1-O-(2-methylpropyl) 10-O-naphthalen-2-yl decanedioate?
The IUPAC name of 1-O-(2-methylpropyl) 10-O-naphthalen-2-yl decanedioate (CID 91718888) is 1-O-(2-methylpropyl) 10-O-naphthalen-2-yl decanedioate.
What is the SMILES notation for 1-O-(2-methylpropyl) 10-O-naphthalen-2-yl decanedioate?
The canonical SMILES for 1-O-(2-methylpropyl) 10-O-naphthalen-2-yl decanedioate is CC(C)COC(=O)CCCCCCCCC(=O)Oc1ccc2ccccc2c1.
What is the InChIKey of 1-O-(2-methylpropyl) 10-O-naphthalen-2-yl decanedioate?
The InChIKey is QLBQHFWYOLFEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O4/c1-19(2)18-27-23(25)13-7-5-3-4-6-8-14-24(26)28-22-16-15-20-11-9-10-12-21(20)17-22/h9-12,15-17,19H,3-8,13-14,18H2,1-2H3.
What are the key properties of 1-O-(2-methylpropyl) 10-O-naphthalen-2-yl decanedioate?
1-O-(2-methylpropyl) 10-O-naphthalen-2-yl decanedioate has a molecular weight of 384.52 g/mol, XLogP of 6.07, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-(2-methylpropyl) 10-O-naphthalen-2-yl decanedioate is sourced from PubChem (CID 91718888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).