CID 88928181

C18H24BO4P2 — CID 88928181

IUPAC—
SMILESO=C1C[C@H]2C(C[C@@H](PP[B]O)[C@@H]2/C=C/[C@@H](O)CCc2ccccc2)O1
InChIInChI=1S/C18H24BO4P2/c20-13(7-6-12-4-2-1-3-5-12)8-9-14-15-10-18(21)23-16(15)11-17(14)24-25-19-22/h1-5,8-9,13-17,20,22,24-25H,6-7,10-11H2/b9-8+/t13-,14+,15+,16?,17+/m0/s1
InChIKeyIOKZYRSOPIUQBA-WABSZDSASA-N
MW377.15 g/mol
LogP2.65
Rot. Bonds8

About CID 88928181

CID 88928181 (PubChem CID 88928181) has the molecular formula C18H24BO4P2 and a molecular weight of 377.15 g/mol.

Molecular Properties

Compound NameCID 88928181
PubChem CID88928181
Molecular FormulaC18H24BO4P2
Molecular Weight377.15 g/mol
Exact Mass377.12
IUPAC Name—
SMILESO=C1C[C@H]2C(C[C@@H](PP[B]O)[C@@H]2/C=C/[C@@H](O)CCc2ccccc2)O1
InChIInChI=1S/C18H24BO4P2/c20-13(7-6-12-4-2-1-3-5-12)8-9-14-15-10-18(21)23-16(15)11-17(14)24-25-19-22/h1-5,8-9,13-17,20,22,24-25H,6-7,10-11H2/b9-8+/t13-,14+,15+,16?,17+/m0/s1
InChIKeyIOKZYRSOPIUQBA-WABSZDSASA-N
XLogP2.65
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.15
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze CID 88928181 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-hydroxy-4-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 145386555
(3aR,4R,5R,6aS)-4-[(3S)-4,4-dimethyl-3-(2-phenylethyl)pent-1-enyl]-5-(2-oxoboranyldiphosphanyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 123138537
(3aR,4R,5R,6aS)-5-bis(phosphanyl)boranyloxy-4-(3-hydroxy-5-phenylpent-1-enyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 91401543
CID 90734909
CID 90734909
[(5R)-4-(3-hydroxy-5-phenylpent-1-enyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate
CID 91592167
[(5R,6aS)-4-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate
CID 143288527
(4S)-4-(3-hydroxy-5-phenylpentyl)-5-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 58058322
[(3aR,4R,5R,6aS)-4-[(E,3S)-5-(3-bromophenyl)-3-hydroxypent-1-enyl]-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] 4-phenylbenzoate
CID 10099361
(3aR,4R,5R,6aS)-5-bis(phosphanyl)boranyloxy-4-[(3S)-5-phenyl-3-phosphanyloxypent-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 91564742
5-bis(phosphanyl)boranyloxy-4-[(E)-5-phenyl-3-phosphanyloxypent-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 20821710
(4S,5S)-5-hydroxy-4-[(3R)-3-hydroxy-4-phenoxybut-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 177418711
[4-(3-acetyloxy-5-phenylpent-1-enyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate
CID 76651178

Frequently Asked Questions

What is the IUPAC name of CID 88928181?
The IUPAC name of CID 88928181 (CID 88928181) is not available.
What is the SMILES notation for CID 88928181?
The canonical SMILES for CID 88928181 is O=C1C[C@H]2C(C[C@@H](PP[B]O)[C@@H]2/C=C/[C@@H](O)CCc2ccccc2)O1.
What is the InChIKey of CID 88928181?
The InChIKey is IOKZYRSOPIUQBA-WABSZDSASA-N. The full InChI is InChI=1S/C18H24BO4P2/c20-13(7-6-12-4-2-1-3-5-12)8-9-14-15-10-18(21)23-16(15)11-17(14)24-25-19-22/h1-5,8-9,13-17,20,22,24-25H,6-7,10-11H2/b9-8+/t13-,14+,15+,16?,17+/m0/s1.
What are the key properties of CID 88928181?
CID 88928181 has a molecular weight of 377.15 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88928181 is sourced from PubChem (CID 88928181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).