CID 88567010

C22H30O5 — CID 88567010

IUPAC—
SMILESC[C@]12CC=C3C(CC[C@@]45CC6(CC[C@@]34O5)OCCO6)C1CCC21OCCO1
InChIInChI=1S/C22H30O5/c1-18-5-3-17-15(16(18)4-7-22(18)25-12-13-26-22)2-6-19-14-20(23-10-11-24-20)8-9-21(17,19)27-19/h3,15-16H,2,4-14H2,1H3/t15?,16?,18-,19+,21+/m0/s1
InChIKeyZFJGUFKEIAMGEH-QNSNYMDOSA-N
MW374.48 g/mol
LogP3.32
Rot. Bonds

About CID 88567010

CID 88567010 (PubChem CID 88567010) has the molecular formula C22H30O5 and a molecular weight of 374.48 g/mol.

Molecular Properties

Compound NameCID 88567010
PubChem CID88567010
Molecular FormulaC22H30O5
Molecular Weight374.48 g/mol
Exact Mass374.21
IUPAC Name—
SMILESC[C@]12CC=C3C(CC[C@@]45CC6(CC[C@@]34O5)OCCO6)C1CCC21OCCO1
InChIInChI=1S/C22H30O5/c1-18-5-3-17-15(16(18)4-7-22(18)25-12-13-26-22)2-6-19-14-20(23-10-11-24-20)8-9-21(17,19)27-19/h3,15-16H,2,4-14H2,1H3/t15?,16?,18-,19+,21+/m0/s1
InChIKeyZFJGUFKEIAMGEH-QNSNYMDOSA-N
XLogP3.32
TPSA49.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 59204340
CID 59204340
CID 144519404
CID 144519404
methyl (1'S,5'S,6'R,9'S,10'S)-6'-acetyl-5'-methylspiro[1,3-dioxolane-2,15'-18-oxapentacyclo[11.4.1.01,13.02,10.05,9]octadec-2-ene]-6'-carboxylate
CID 54411971
(1'R,5'S,6'R,13'R)-5'-methyl-6'-trimethylsilyloxyspiro[1,3-dioxolane-2,15'-18-oxapentacyclo[11.4.1.01,13.02,10.05,9]octadec-2-ene]-6'-carbonitrile
CID 89398085
(1'R,5'S,6'S,9'S,10'S,13'R)-5'-methylspiro[1,3-dioxolane-2,15'-18-oxapentacyclo[11.4.1.01,13.02,10.05,9]octadec-2-ene]-6'-ol
CID 11450400
(1'R,5'S,9'S,10'S,13'S)-5'-methylspiro[1,3-dioxolane-2,15'-18-oxapentacyclo[11.4.1.01,13.02,10.05,9]octadec-2-ene]-6'-one
CID 87393646
(1'S,5'S,6'R,9'R,10'S,13'S)-5'-methylspiro[1,3-dioxolane-2,15'-18-oxapentacyclo[11.4.1.01,13.02,10.05,9]octadec-2-ene]-6'-ol
CID 54192588
(1'S,5'S,6'R,9'S,10'S)-6'-(1-hydroxy-2-methoxyethyl)-5'-methylspiro[1,3-dioxolane-2,15'-18-oxapentacyclo[11.4.1.01,13.02,10.05,9]octadec-2-ene]-6'-ol
CID 91037506
(6'R)-6'-fluoro-5'-methylspiro[1,3-dioxolane-2,15'-18-oxapentacyclo[11.4.1.01,13.02,10.05,9]octadec-2-ene]
CID 11221329
ethane;(1'R,13'R)-5'-methylspiro[1,3-dioxolane-2,15'-18-oxapentacyclo[11.4.1.01,13.02,10.05,9]octadec-2-ene]-6'-one
CID 145160695
CID 123309809
CID 123309809
(1'R,5'S,6'S,9'S,10'S,13'R)-5,5,5'-trimethyl-6'-(1,1,2,2,2-pentafluoroethyl)spiro[1,3-dioxane-2,15'-18-oxapentacyclo[11.4.1.01,13.02,10.05,9]octadec-2-ene]-6'-ol
CID 59780402

Frequently Asked Questions

What is the IUPAC name of CID 88567010?
The IUPAC name of CID 88567010 (CID 88567010) is not available.
What is the SMILES notation for CID 88567010?
The canonical SMILES for CID 88567010 is C[C@]12CC=C3C(CC[C@@]45CC6(CC[C@@]34O5)OCCO6)C1CCC21OCCO1.
What is the InChIKey of CID 88567010?
The InChIKey is ZFJGUFKEIAMGEH-QNSNYMDOSA-N. The full InChI is InChI=1S/C22H30O5/c1-18-5-3-17-15(16(18)4-7-22(18)25-12-13-26-22)2-6-19-14-20(23-10-11-24-20)8-9-21(17,19)27-19/h3,15-16H,2,4-14H2,1H3/t15?,16?,18-,19+,21+/m0/s1.
What are the key properties of CID 88567010?
CID 88567010 has a molecular weight of 374.48 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88567010 is sourced from PubChem (CID 88567010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).