CID 89201023

C15H25BO3 — CID 89201023

IUPAC—
SMILES[B]C(O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC)[C@@H](O)C[C@H]1O
InChIInChI=1S/C15H25BO3/c1-2-3-4-5-6-7-11-12(8-9-15(16)19)14(18)10-13(11)17/h5-6,8-9,11-15,17-19H,2-4,7,10H2,1H3/b6-5-,9-8+/t11-,12-,13+,14-,15?/m1/s1
InChIKeyZWESEBVISQBOLW-NAYOOMCQSA-N
MW264.17 g/mol
LogP1.52
Rot. Bonds7

About CID 89201023

CID 89201023 (PubChem CID 89201023) has the molecular formula C15H25BO3 and a molecular weight of 264.17 g/mol.

Molecular Properties

Compound NameCID 89201023
PubChem CID89201023
Molecular FormulaC15H25BO3
Molecular Weight264.17 g/mol
Exact Mass264.19
IUPAC Name—
SMILES[B]C(O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC)[C@@H](O)C[C@H]1O
InChIInChI=1S/C15H25BO3/c1-2-3-4-5-6-7-11-12(8-9-15(16)19)14(18)10-13(11)17/h5-6,8-9,11-15,17-19H,2-4,7,10H2,1H3/b6-5-,9-8+/t11-,12-,13+,14-,15?/m1/s1
InChIKeyZWESEBVISQBOLW-NAYOOMCQSA-N
XLogP1.52
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.17
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-3-methylhex-1-enyl]-5-[(E)-oct-2-enyl]cyclopentane-1,3-diol
CID 20612560
CID 21049102
CID 21049102
(E,5S)-7-[(1R,2R,3S,5R)-3,5-dihydroxy-2-[(Z)-oct-2-enyl]cyclopentyl]-5-hydroxyhept-6-enoic acid
CID 26250241
(E)-7-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(Z)-oct-2-enyl]cyclopentyl]-5-hydroxyhept-6-enoic acid
CID 42607309
(E)-7-[(1S,2R,3R,5R)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
CID 171042160
(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
CID 67853576
7-[(1R,2R,3R,5R)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
CID 134688226
(E)-7-[(1R,2R,3R,5R)-3,5-dihydroxy-2-[(E)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
CID 22795415
(E)-7-[(1R,2R,3S,5S)-3,5-dihydroxy-2-[(E)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
CID 133126547
(Z)-7-[(1R,2S,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
CID 10522105
(Z)-7-[(1S,2S,3R,5R)-3,5-dihydroxy-2-[(E,3R)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
CID 139593376
(1R,3S,4R,5R)-4-(7,8-dihydroxyoct-2-enyl)-5-[(3S)-3-hydroxyoct-1-enyl]cyclopentane-1,3-diol
CID 70213423

Frequently Asked Questions

What is the IUPAC name of CID 89201023?
The IUPAC name of CID 89201023 (CID 89201023) is not available.
What is the SMILES notation for CID 89201023?
The canonical SMILES for CID 89201023 is [B]C(O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC)[C@@H](O)C[C@H]1O.
What is the InChIKey of CID 89201023?
The InChIKey is ZWESEBVISQBOLW-NAYOOMCQSA-N. The full InChI is InChI=1S/C15H25BO3/c1-2-3-4-5-6-7-11-12(8-9-15(16)19)14(18)10-13(11)17/h5-6,8-9,11-15,17-19H,2-4,7,10H2,1H3/b6-5-,9-8+/t11-,12-,13+,14-,15?/m1/s1.
What are the key properties of CID 89201023?
CID 89201023 has a molecular weight of 264.17 g/mol, XLogP of 1.52, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89201023 is sourced from PubChem (CID 89201023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).