3-cyclodecyl-3-hydroxy-2,4-dinaphthalen-1-ylpentanedioic acid

C35H38O5 — CID 68534107

IUPAC3-cyclodecyl-3-hydroxy-2,4-dinaphthalen-1-ylpentanedioic acid
SMILESO=C(O)C(c1cccc2ccccc12)C(O)(C1CCCCCCCCC1)C(C(=O)O)c1cccc2ccccc12
InChIInChI=1S/C35H38O5/c36-33(37)31(29-22-12-16-24-14-8-10-20-27(24)29)35(40,26-18-6-4-2-1-3-5-7-19-26)32(34(38)39)30-23-13-17-25-15-9-11-21-28(25)30/h8-17,20-23,26,31-32,40H,1-7,18-19H2,(H,36,37)(H,38,39)
InChIKeyDHCQGTVWNJZLJC-UHFFFAOYSA-N
MW538.68 g/mol
LogP7.90
Rot. Bonds7

About 3-cyclodecyl-3-hydroxy-2,4-dinaphthalen-1-ylpentanedioic acid

3-cyclodecyl-3-hydroxy-2,4-dinaphthalen-1-ylpentanedioic acid (PubChem CID 68534107) has the molecular formula C35H38O5 and a molecular weight of 538.68 g/mol. Its IUPAC name is 3-cyclodecyl-3-hydroxy-2,4-dinaphthalen-1-ylpentanedioic acid.

Molecular Properties

Compound Name3-cyclodecyl-3-hydroxy-2,4-dinaphthalen-1-ylpentanedioic acid
PubChem CID68534107
Molecular FormulaC35H38O5
Molecular Weight538.68 g/mol
Exact Mass538.27
IUPAC Name3-cyclodecyl-3-hydroxy-2,4-dinaphthalen-1-ylpentanedioic acid
SMILESO=C(O)C(c1cccc2ccccc12)C(O)(C1CCCCCCCCC1)C(C(=O)O)c1cccc2ccccc12
InChIInChI=1S/C35H38O5/c36-33(37)31(29-22-12-16-24-14-8-10-20-27(24)29)35(40,26-18-6-4-2-1-3-5-7-19-26)32(34(38)39)30-23-13-17-25-15-9-11-21-28(25)30/h8-17,20-23,26,31-32,40H,1-7,18-19H2,(H,36,37)(H,38,39)
InChIKeyDHCQGTVWNJZLJC-UHFFFAOYSA-N
XLogP7.90
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.68
LogP ≤ 57.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-cyclodecyl-3-hydroxy-2,4-dinaphthalen-1-ylpentanedioic acid 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

2,3-dinaphthalen-1-yl-2-sulfobutanedioic acid
CID 88780803
[cyclohexyl(naphthalen-1-yl)methyl] acetate
CID 150589052
(1R,2R)-3-amino-1-cyclohexyl-2-naphthalen-1-ylpropan-1-ol
CID 69271499
2-hydroxy-1-phenanthren-1-ylpropane-1,2,3-tricarboxylic acid
CID 175909990
2-naphthalen-1-yl-2-pyrrolidin-1-ylacetic acid
CID 43803532
(2S)-2-[(R)-hydroxy(naphthalen-1-yl)methyl]cyclohexan-1-one
CID 101202152
ethane;2-naphthalen-1-ylpropanoic acid
CID 144663129
bis(2-cyclohexyl-1-naphthalen-1-yl-2-oxoethyl) (E)-but-2-enedioate
CID 141044789
2-cyclohexyl-1-naphthalen-1-ylpropan-2-ol
CID 114795042
N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]cyclopentanecarboxamide
CID 95367123
2-[(4-hydroxycyclohexyl)amino]-2-naphthalen-1-ylacetic acid
CID 84747241
1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxylic acid
CID 155289856

Frequently Asked Questions

What is the IUPAC name of 3-cyclodecyl-3-hydroxy-2,4-dinaphthalen-1-ylpentanedioic acid?
The IUPAC name of 3-cyclodecyl-3-hydroxy-2,4-dinaphthalen-1-ylpentanedioic acid (CID 68534107) is 3-cyclodecyl-3-hydroxy-2,4-dinaphthalen-1-ylpentanedioic acid.
What is the SMILES notation for 3-cyclodecyl-3-hydroxy-2,4-dinaphthalen-1-ylpentanedioic acid?
The canonical SMILES for 3-cyclodecyl-3-hydroxy-2,4-dinaphthalen-1-ylpentanedioic acid is O=C(O)C(c1cccc2ccccc12)C(O)(C1CCCCCCCCC1)C(C(=O)O)c1cccc2ccccc12.
What is the InChIKey of 3-cyclodecyl-3-hydroxy-2,4-dinaphthalen-1-ylpentanedioic acid?
The InChIKey is DHCQGTVWNJZLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38O5/c36-33(37)31(29-22-12-16-24-14-8-10-20-27(24)29)35(40,26-18-6-4-2-1-3-5-7-19-26)32(34(38)39)30-23-13-17-25-15-9-11-21-28(25)30/h8-17,20-23,26,31-32,40H,1-7,18-19H2,(H,36,37)(H,38,39).
What are the key properties of 3-cyclodecyl-3-hydroxy-2,4-dinaphthalen-1-ylpentanedioic acid?
3-cyclodecyl-3-hydroxy-2,4-dinaphthalen-1-ylpentanedioic acid has a molecular weight of 538.68 g/mol, XLogP of 7.90, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclodecyl-3-hydroxy-2,4-dinaphthalen-1-ylpentanedioic acid is sourced from PubChem (CID 68534107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).