CID 138655416

C26H42O5 — CID 138655416

IUPAC—
SMILESCC[C@@]12CC[C@@H]3[C@H]([C@@](C)(O)C[C@@]4(C)[C@H]3CCC43OCCO3)[C@@]1(C)CCC1(C2)OCCO1
InChIInChI=1S/C26H42O5/c1-5-24-8-6-18-19-7-9-26(30-14-15-31-26)22(19,3)16-23(4,27)20(18)21(24,2)10-11-25(17-24)28-12-13-29-25/h18-20,27H,5-17H2,1-4H3/t18-,19-,20-,21+,22-,23-,24-/m0/s1
InChIKeyZYBOKNOADSABJA-WQCLFZALSA-N
MW434.62 g/mol
LogP4.66
Rot. Bonds1

About CID 138655416

CID 138655416 (PubChem CID 138655416) has the molecular formula C26H42O5 and a molecular weight of 434.62 g/mol.

Molecular Properties

Compound NameCID 138655416
PubChem CID138655416
Molecular FormulaC26H42O5
Molecular Weight434.62 g/mol
Exact Mass434.30
IUPAC Name—
SMILESCC[C@@]12CC[C@@H]3[C@H]([C@@](C)(O)C[C@@]4(C)[C@H]3CCC43OCCO3)[C@@]1(C)CCC1(C2)OCCO1
InChIInChI=1S/C26H42O5/c1-5-24-8-6-18-19-7-9-26(30-14-15-31-26)22(19,3)16-23(4,27)20(18)21(24,2)10-11-25(17-24)28-12-13-29-25/h18-20,27H,5-17H2,1-4H3/t18-,19-,20-,21+,22-,23-,24-/m0/s1
InChIKeyZYBOKNOADSABJA-WQCLFZALSA-N
XLogP4.66
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.62
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 134237730
(5R,8R,9S,10S,13R,14S)-5,10,13-trimethylspiro[1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-one
CID 11867637
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Frequently Asked Questions

What is the IUPAC name of CID 138655416?
The IUPAC name of CID 138655416 (CID 138655416) is not available.
What is the SMILES notation for CID 138655416?
The canonical SMILES for CID 138655416 is CC[C@@]12CC[C@@H]3[C@H]([C@@](C)(O)C[C@@]4(C)[C@H]3CCC43OCCO3)[C@@]1(C)CCC1(C2)OCCO1.
What is the InChIKey of CID 138655416?
The InChIKey is ZYBOKNOADSABJA-WQCLFZALSA-N. The full InChI is InChI=1S/C26H42O5/c1-5-24-8-6-18-19-7-9-26(30-14-15-31-26)22(19,3)16-23(4,27)20(18)21(24,2)10-11-25(17-24)28-12-13-29-25/h18-20,27H,5-17H2,1-4H3/t18-,19-,20-,21+,22-,23-,24-/m0/s1.
What are the key properties of CID 138655416?
CID 138655416 has a molecular weight of 434.62 g/mol, XLogP of 4.66, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 138655416 is sourced from PubChem (CID 138655416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).