CID 131974578

C24H36O6 — CID 131974578

IUPAC—
SMILESOC1[C@H]2OC3(CC4CCCCC4C3)O[C@H]2C(O)[C@@H]2OC3(CC4CCCCC4C3)O[C@@H]12
InChIInChI=1S/C24H36O6/c25-17-19-20(28-23(27-19)9-13-5-1-2-6-14(13)10-23)18(26)22-21(17)29-24(30-22)11-15-7-3-4-8-16(15)12-24/h13-22,25-26H,1-12H2/t13?,14?,15?,16?,17?,18?,19-,20-,21-,22+,23?,24?/m0/s1
InChIKeyANUVBPGWTDGOPA-DUDABTHHSA-N
MW420.55 g/mol
LogP2.88
Rot. Bonds

About CID 131974578

CID 131974578 (PubChem CID 131974578) has the molecular formula C24H36O6 and a molecular weight of 420.55 g/mol.

Molecular Properties

Compound NameCID 131974578
PubChem CID131974578
Molecular FormulaC24H36O6
Molecular Weight420.55 g/mol
Exact Mass420.25
IUPAC Name—
SMILESOC1[C@H]2OC3(CC4CCCCC4C3)O[C@H]2C(O)[C@@H]2OC3(CC4CCCCC4C3)O[C@@H]12
InChIInChI=1S/C24H36O6/c25-17-19-20(28-23(27-19)9-13-5-1-2-6-14(13)10-23)18(26)22-21(17)29-24(30-22)11-15-7-3-4-8-16(15)12-24/h13-22,25-26H,1-12H2/t13?,14?,15?,16?,17?,18?,19-,20-,21-,22+,23?,24?/m0/s1
InChIKeyANUVBPGWTDGOPA-DUDABTHHSA-N
XLogP2.88
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.55
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 131974578?
The IUPAC name of CID 131974578 (CID 131974578) is not available.
What is the SMILES notation for CID 131974578?
The canonical SMILES for CID 131974578 is OC1[C@H]2OC3(CC4CCCCC4C3)O[C@H]2C(O)[C@@H]2OC3(CC4CCCCC4C3)O[C@@H]12.
What is the InChIKey of CID 131974578?
The InChIKey is ANUVBPGWTDGOPA-DUDABTHHSA-N. The full InChI is InChI=1S/C24H36O6/c25-17-19-20(28-23(27-19)9-13-5-1-2-6-14(13)10-23)18(26)22-21(17)29-24(30-22)11-15-7-3-4-8-16(15)12-24/h13-22,25-26H,1-12H2/t13?,14?,15?,16?,17?,18?,19-,20-,21-,22+,23?,24?/m0/s1.
What are the key properties of CID 131974578?
CID 131974578 has a molecular weight of 420.55 g/mol, XLogP of 2.88, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131974578 is sourced from PubChem (CID 131974578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).