8,10-bis(methoxycarbonyl)-2,3,5,5,8,10,12-heptamethyltridecanedioic acid

C24H42O8 — CID 150322202

IUPAC8,10-bis(methoxycarbonyl)-2,3,5,5,8,10,12-heptamethyltridecanedioic acid
SMILESCOC(=O)C(C)(CCC(C)(C)CC(C)C(C)C(=O)O)CC(C)(CC(C)C(=O)O)C(=O)OC
InChIInChI=1S/C24H42O8/c1-15(17(3)19(27)28)12-22(4,5)10-11-23(6,20(29)31-8)14-24(7,21(30)32-9)13-16(2)18(25)26/h15-17H,10-14H2,1-9H3,(H,25,26)(H,27,28)
InChIKeyGNWLDDONGFHYIP-UHFFFAOYSA-N
MW458.59 g/mol
LogP4.40
Rot. Bonds14

About 8,10-bis(methoxycarbonyl)-2,3,5,5,8,10,12-heptamethyltridecanedioic acid

8,10-bis(methoxycarbonyl)-2,3,5,5,8,10,12-heptamethyltridecanedioic acid (PubChem CID 150322202) has the molecular formula C24H42O8 and a molecular weight of 458.59 g/mol. Its IUPAC name is 8,10-bis(methoxycarbonyl)-2,3,5,5,8,10,12-heptamethyltridecanedioic acid.

Molecular Properties

Compound Name8,10-bis(methoxycarbonyl)-2,3,5,5,8,10,12-heptamethyltridecanedioic acid
PubChem CID150322202
Molecular FormulaC24H42O8
Molecular Weight458.59 g/mol
Exact Mass458.29
IUPAC Name8,10-bis(methoxycarbonyl)-2,3,5,5,8,10,12-heptamethyltridecanedioic acid
SMILESCOC(=O)C(C)(CCC(C)(C)CC(C)C(C)C(=O)O)CC(C)(CC(C)C(=O)O)C(=O)OC
InChIInChI=1S/C24H42O8/c1-15(17(3)19(27)28)12-22(4,5)10-11-23(6,20(29)31-8)14-24(7,21(30)32-9)13-16(2)18(25)26/h15-17H,10-14H2,1-9H3,(H,25,26)(H,27,28)
InChIKeyGNWLDDONGFHYIP-UHFFFAOYSA-N
XLogP4.40
TPSA127.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.59
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 8,10-bis(methoxycarbonyl)-2,3,5,5,8,10,12-heptamethyltridecanedioic acid with MolForge

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Related Compounds

4,6-bis(methoxycarbonyl)-2,4,6-trimethyldodecanedioic acid
CID 21185462
(2R)-4-hydroxy-2,4-dimethylpentanoic acid
CID 168758888
2-amino-2,4-dimethylpentanedioic acid
CID 87224787
(4R)-4-hydroxy-2,4,6-trimethylheptanoic acid
CID 122394912
2,3,6,6-tetramethylheptanoic acid
CID 81009492
4-amino-2,4-dimethylpentanoic acid
CID 20501045
(2R)-4,4-difluoro-2-methylpentanoic acid
CID 156789470
4-methoxy-2,3-dimethylbutanoic acid
CID 79418013
methyl 2,4,4-trichloro-2-methylbutanoate
CID 10584979
5-[3-(4-carboxy-2,2-dimethylpentanoyl)oxy-2,2-bis[(4-carboxy-2,2-dimethylpentanoyl)oxymethyl]propoxy]-2,4,4-trimethyl-5-oxopentanoic acid
CID 147380792
(2S)-2,4,4-trimethyl-5-nitrosopentanoic acid
CID 174891106
2,2-bis(methoxycarbonyl)-12-methyltridecanedioic acid
CID 150914134

Frequently Asked Questions

What is the IUPAC name of 8,10-bis(methoxycarbonyl)-2,3,5,5,8,10,12-heptamethyltridecanedioic acid?
The IUPAC name of 8,10-bis(methoxycarbonyl)-2,3,5,5,8,10,12-heptamethyltridecanedioic acid (CID 150322202) is 8,10-bis(methoxycarbonyl)-2,3,5,5,8,10,12-heptamethyltridecanedioic acid.
What is the SMILES notation for 8,10-bis(methoxycarbonyl)-2,3,5,5,8,10,12-heptamethyltridecanedioic acid?
The canonical SMILES for 8,10-bis(methoxycarbonyl)-2,3,5,5,8,10,12-heptamethyltridecanedioic acid is COC(=O)C(C)(CCC(C)(C)CC(C)C(C)C(=O)O)CC(C)(CC(C)C(=O)O)C(=O)OC.
What is the InChIKey of 8,10-bis(methoxycarbonyl)-2,3,5,5,8,10,12-heptamethyltridecanedioic acid?
The InChIKey is GNWLDDONGFHYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O8/c1-15(17(3)19(27)28)12-22(4,5)10-11-23(6,20(29)31-8)14-24(7,21(30)32-9)13-16(2)18(25)26/h15-17H,10-14H2,1-9H3,(H,25,26)(H,27,28).
What are the key properties of 8,10-bis(methoxycarbonyl)-2,3,5,5,8,10,12-heptamethyltridecanedioic acid?
8,10-bis(methoxycarbonyl)-2,3,5,5,8,10,12-heptamethyltridecanedioic acid has a molecular weight of 458.59 g/mol, XLogP of 4.40, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8,10-bis(methoxycarbonyl)-2,3,5,5,8,10,12-heptamethyltridecanedioic acid is sourced from PubChem (CID 150322202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).