CID 59204340

C24H32O4 — CID 59204340

IUPAC—
SMILESC=C1CCO[C@]12CC[C@H]1[C@@H]3CC[C@@]45CC6(CC[C@@]4(O5)C3=CC[C@@]12C)OCCO6
InChIInChI=1S/C24H32O4/c1-16-6-12-27-23(16)9-5-18-17-3-8-21-15-22(25-13-14-26-22)10-11-24(21,28-21)19(17)4-7-20(18,23)2/h4,17-18H,1,3,5-15H2,2H3/t17-,18-,20-,21+,23+,24+/m0/s1
InChIKeyKZHBWXRRTYOWAW-FSQCBZKWSA-N
MW384.52 g/mol
LogP4.29
Rot. Bonds

About CID 59204340

CID 59204340 (PubChem CID 59204340) has the molecular formula C24H32O4 and a molecular weight of 384.52 g/mol.

Molecular Properties

Compound NameCID 59204340
PubChem CID59204340
Molecular FormulaC24H32O4
Molecular Weight384.52 g/mol
Exact Mass384.23
IUPAC Name—
SMILESC=C1CCO[C@]12CC[C@H]1[C@@H]3CC[C@@]45CC6(CC[C@@]4(O5)C3=CC[C@@]12C)OCCO6
InChIInChI=1S/C24H32O4/c1-16-6-12-27-23(16)9-5-18-17-3-8-21-15-22(25-13-14-26-22)10-11-24(21,28-21)19(17)4-7-20(18,23)2/h4,17-18H,1,3,5-15H2,2H3/t17-,18-,20-,21+,23+,24+/m0/s1
InChIKeyKZHBWXRRTYOWAW-FSQCBZKWSA-N
XLogP4.29
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 144519404
CID 144519404
CID 88567010
CID 88567010
(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
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'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
(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'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
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 59204340?
The IUPAC name of CID 59204340 (CID 59204340) is not available.
What is the SMILES notation for CID 59204340?
The canonical SMILES for CID 59204340 is C=C1CCO[C@]12CC[C@H]1[C@@H]3CC[C@@]45CC6(CC[C@@]4(O5)C3=CC[C@@]12C)OCCO6.
What is the InChIKey of CID 59204340?
The InChIKey is KZHBWXRRTYOWAW-FSQCBZKWSA-N. The full InChI is InChI=1S/C24H32O4/c1-16-6-12-27-23(16)9-5-18-17-3-8-21-15-22(25-13-14-26-22)10-11-24(21,28-21)19(17)4-7-20(18,23)2/h4,17-18H,1,3,5-15H2,2H3/t17-,18-,20-,21+,23+,24+/m0/s1.
What are the key properties of CID 59204340?
CID 59204340 has a molecular weight of 384.52 g/mol, XLogP of 4.29, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59204340 is sourced from PubChem (CID 59204340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).