CID 11872269

C22H32O3 — CID 11872269

IUPAC—
SMILESC[C@]12CCC3(CC1=CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@]21CO1)OCCO3
InChIInChI=1S/C22H32O3/c1-19-9-10-22(23-11-12-24-22)13-15(19)3-4-16-17(19)5-7-20(2)18(16)6-8-21(20)14-25-21/h3,16-18H,4-14H2,1-2H3/t16-,17-,18-,19+,20+,21+/m1/s1
InChIKeyOULYBQZTBUFJRZ-SQDPYLFBSA-N
MW344.50 g/mol
LogP4.46
Rot. Bonds

About CID 11872269

CID 11872269 (PubChem CID 11872269) has the molecular formula C22H32O3 and a molecular weight of 344.50 g/mol.

Molecular Properties

Compound NameCID 11872269
PubChem CID11872269
Molecular FormulaC22H32O3
Molecular Weight344.50 g/mol
Exact Mass344.24
IUPAC Name—
SMILESC[C@]12CCC3(CC1=CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@]21CO1)OCCO3
InChIInChI=1S/C22H32O3/c1-19-9-10-22(23-11-12-24-22)13-15(19)3-4-16-17(19)5-7-20(2)18(16)6-8-21(20)14-25-21/h3,16-18H,4-14H2,1-2H3/t16-,17-,18-,19+,20+,21+/m1/s1
InChIKeyOULYBQZTBUFJRZ-SQDPYLFBSA-N
XLogP4.46
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

CID 40544151
CID 40544151
10',13'-dimethyl-17'-(2-methyl-1,3-dioxolan-2-yl)spiro[1,3-dioxolane-2,3'-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]-17'-ol
CID 14445373
(8'R,9'R,10'R,13'S,14'R,17'S)-10',13'-dimethyl-17'-(2-methyl-1,3-dioxolan-2-yl)spiro[1,3-dioxolane-2,3'-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]-17'-ol
CID 139024434
17'-hydroxy-10',13'-dimethylspiro[1,3-dioxolane-2,3'-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]-17'-carbonitrile
CID 3782755
(8'S,9'S,10'R,13'R,14'S)-10',13'-dimethylspiro[1,3-dioxolane-2,3'-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]-17'-one
CID 11890892
(10'S,13'S)-10',13'-dimethylspiro[1,3-dioxolane-2,3'-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]-17'-one
CID 23828116
[(17'S)-17'-acetyl-10',13'-dimethylspiro[1,3-dioxolane-2,3'-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]-17'-yl] acetate
CID 117066290
1-(10',13'-dimethyl-17'-trimethylsilyloxyspiro[1,3-dioxolane-2,3'-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]-17'-yl)ethanone
CID 4518413
(8R,9R,10R,13S,14R)-10,13-dimethylspiro[1,2,4,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-carbonitrile
CID 11872704
1-[(8R,9S,10R,13S,14S)-10,13-dimethylspiro[1,2,4,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-yl]ethanone
CID 131882874
(3R,8S,9S,10R,13S,14R,17S)-10,13-dimethylspiro[1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-oxirane]-3-ol
CID 11914255
(3S,8S,9R,10R,13S,14S,17S)-10,13-dimethylspiro[1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-oxirane]-3-ol
CID 7725229

Frequently Asked Questions

What is the IUPAC name of CID 11872269?
The IUPAC name of CID 11872269 (CID 11872269) is not available.
What is the SMILES notation for CID 11872269?
The canonical SMILES for CID 11872269 is C[C@]12CCC3(CC1=CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@]21CO1)OCCO3.
What is the InChIKey of CID 11872269?
The InChIKey is OULYBQZTBUFJRZ-SQDPYLFBSA-N. The full InChI is InChI=1S/C22H32O3/c1-19-9-10-22(23-11-12-24-22)13-15(19)3-4-16-17(19)5-7-20(2)18(16)6-8-21(20)14-25-21/h3,16-18H,4-14H2,1-2H3/t16-,17-,18-,19+,20+,21+/m1/s1.
What are the key properties of CID 11872269?
CID 11872269 has a molecular weight of 344.50 g/mol, XLogP of 4.46, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11872269 is sourced from PubChem (CID 11872269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).