CID 144797601

C25H42O5 — CID 144797601

IUPAC—
SMILESCC.CC12CCC3C(CCC4CC5(CCC43CO)OCCO5)C1CCC21OCCO1
InChIInChI=1S/C23H36O5.C2H6/c1-20-6-4-19-17(18(20)5-7-23(20)27-12-13-28-23)3-2-16-14-22(25-10-11-26-22)9-8-21(16,19)15-24;1-2/h16-19,24H,2-15H2,1H3;1-2H3
InChIKeyAFHVNQKPBTXDSD-UHFFFAOYSA-N
MW422.61 g/mol
LogP4.51
Rot. Bonds1

About CID 144797601

CID 144797601 (PubChem CID 144797601) has the molecular formula C25H42O5 and a molecular weight of 422.61 g/mol.

Molecular Properties

Compound NameCID 144797601
PubChem CID144797601
Molecular FormulaC25H42O5
Molecular Weight422.61 g/mol
Exact Mass422.30
IUPAC Name—
SMILESCC.CC12CCC3C(CCC4CC5(CCC43CO)OCCO5)C1CCC21OCCO1
InChIInChI=1S/C23H36O5.C2H6/c1-20-6-4-19-17(18(20)5-7-23(20)27-12-13-28-23)3-2-16-14-22(25-10-11-26-22)9-8-21(16,19)15-24;1-2/h16-19,24H,2-15H2,1H3;1-2H3
InChIKeyAFHVNQKPBTXDSD-UHFFFAOYSA-N
XLogP4.51
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.61
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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(5'S,8'R,9'R,10'S,13'S,14'S)-10',13'-dimethylspiro[1,3-dioxolane-2,17'-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene]
CID 11872550
(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
CID 99566197
(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
(5'R,8'R,9'S,10'R,13'S,14'S)-10'-(hydroxymethyl)-5,5,13'-trimethylspiro[1,3-dioxane-2,3'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-17'-one
CID 118618542
CID 13370497
CID 13370497
(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
(3'S,5'S,8'R,9'S,10'R,13'R,14'R)-3'-hydroxy-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'-carbonitrile
CID 162807673

Frequently Asked Questions

What is the IUPAC name of CID 144797601?
The IUPAC name of CID 144797601 (CID 144797601) is not available.
What is the SMILES notation for CID 144797601?
The canonical SMILES for CID 144797601 is CC.CC12CCC3C(CCC4CC5(CCC43CO)OCCO5)C1CCC21OCCO1.
What is the InChIKey of CID 144797601?
The InChIKey is AFHVNQKPBTXDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36O5.C2H6/c1-20-6-4-19-17(18(20)5-7-23(20)27-12-13-28-23)3-2-16-14-22(25-10-11-26-22)9-8-21(16,19)15-24;1-2/h16-19,24H,2-15H2,1H3;1-2H3.
What are the key properties of CID 144797601?
CID 144797601 has a molecular weight of 422.61 g/mol, XLogP of 4.51, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 144797601 is sourced from PubChem (CID 144797601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).