CID 69010883

C25H40O5 — CID 69010883

IUPAC—
SMILESC[C@]12CCC3(CC1[C@@H](CCO)C[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCC21OCCO1)OCCO3
InChIInChI=1S/C25H40O5/c1-22-8-9-24(27-11-12-28-24)16-21(22)17(5-10-26)15-18-19(22)3-6-23(2)20(18)4-7-25(23)29-13-14-30-25/h17-21,26H,3-16H2,1-2H3/t17-,18+,19-,20-,21?,22+,23-/m0/s1
InChIKeyZTLYEYJNXSJXOD-PBCHSKRKSA-N
MW420.59 g/mol
LogP4.12
Rot. Bonds2

About CID 69010883

CID 69010883 (PubChem CID 69010883) has the molecular formula C25H40O5 and a molecular weight of 420.59 g/mol.

Molecular Properties

Compound NameCID 69010883
PubChem CID69010883
Molecular FormulaC25H40O5
Molecular Weight420.59 g/mol
Exact Mass420.29
IUPAC Name—
SMILESC[C@]12CCC3(CC1[C@@H](CCO)C[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCC21OCCO1)OCCO3
InChIInChI=1S/C25H40O5/c1-22-8-9-24(27-11-12-28-24)16-21(22)17(5-10-26)15-18-19(22)3-6-23(2)20(18)4-7-25(23)29-13-14-30-25/h17-21,26H,3-16H2,1-2H3/t17-,18+,19-,20-,21?,22+,23-/m0/s1
InChIKeyZTLYEYJNXSJXOD-PBCHSKRKSA-N
XLogP4.12
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.59
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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(3S,5S,8R,9S,10S,13R,14S)-10,13-dimethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxolane]-3-ol
CID 125028442
(3R,5R,8R,9S,10S,13S,14S)-10,13-dimethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxolane]-3-ol
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(3'R,8'R,9'S,10'S,13'S,14'S)-3'-(3-hydroxypropyl)-10',13'-dimethylspiro[1,3-dioxolane-2,17'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-3'-ol
CID 11315355
CID 69133458
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Frequently Asked Questions

What is the IUPAC name of CID 69010883?
The IUPAC name of CID 69010883 (CID 69010883) is not available.
What is the SMILES notation for CID 69010883?
The canonical SMILES for CID 69010883 is C[C@]12CCC3(CC1[C@@H](CCO)C[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCC21OCCO1)OCCO3.
What is the InChIKey of CID 69010883?
The InChIKey is ZTLYEYJNXSJXOD-PBCHSKRKSA-N. The full InChI is InChI=1S/C25H40O5/c1-22-8-9-24(27-11-12-28-24)16-21(22)17(5-10-26)15-18-19(22)3-6-23(2)20(18)4-7-25(23)29-13-14-30-25/h17-21,26H,3-16H2,1-2H3/t17-,18+,19-,20-,21?,22+,23-/m0/s1.
What are the key properties of CID 69010883?
CID 69010883 has a molecular weight of 420.59 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 69010883 is sourced from PubChem (CID 69010883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).