CID 91807823

C17H29BO3 — CID 91807823

IUPAC—
SMILES[B]C(C=C[C@@H]1[C@@H](C/C=C\CCCC)[C@@H](OC)C[C@H]1O)OC
InChIInChI=1S/C17H29BO3/c1-4-5-6-7-8-9-14-13(10-11-17(18)21-3)15(19)12-16(14)20-2/h7-8,10-11,13-17,19H,4-6,9,12H2,1-3H3/b8-7-,11-10?/t13-,14-,15-,16+,17?/m1/s1
InChIKeyVIHZJPWROUEDBI-FKNJWPKSSA-N
MW292.23 g/mol
LogP2.83
Rot. Bonds9

About CID 91807823

CID 91807823 (PubChem CID 91807823) has the molecular formula C17H29BO3 and a molecular weight of 292.23 g/mol.

Molecular Properties

Compound NameCID 91807823
PubChem CID91807823
Molecular FormulaC17H29BO3
Molecular Weight292.23 g/mol
Exact Mass292.22
IUPAC Name—
SMILES[B]C(C=C[C@@H]1[C@@H](C/C=C\CCCC)[C@@H](OC)C[C@H]1O)OC
InChIInChI=1S/C17H29BO3/c1-4-5-6-7-8-9-14-13(10-11-17(18)21-3)15(19)12-16(14)20-2/h7-8,10-11,13-17,19H,4-6,9,12H2,1-3H3/b8-7-,11-10?/t13-,14-,15-,16+,17?/m1/s1
InChIKeyVIHZJPWROUEDBI-FKNJWPKSSA-N
XLogP2.83
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.23
LogP ≤ 52.83
H-Bond Donors ≤ 51
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'}

Analyze CID 91807823 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

CID 89201025
CID 89201025
CID 89201023
CID 89201023
(1R,2S,4R)-3-[(Z)-7-hydroxyhept-2-enyl]-2-[(E)-8-hydroxyoct-1-enyl]-4-methoxycyclopentan-1-ol
CID 67586033
1-[2-(7-hydroxyhept-2-enyl)-3,5-dimethoxycyclopentyl]oct-1-en-3-ol
CID 91151253
4-[(E)-3-methylhex-1-enyl]-5-[(E)-oct-2-enyl]cyclopentane-1,3-diol
CID 20612560
methyl 7-[2-(3-hydroxyoct-1-enyl)-3,5-dimethoxycyclopentyl]hept-5-enoate
CID 90967713
CID 21049102
CID 21049102
propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-propan-2-yloxycyclopentyl]hept-5-enoate
CID 90141838
methyl (E)-7-[(1R,2S,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate
CID 11921381
CID 58960283
CID 58960283
7-[(1R,2R)-3,5-dihydroxy-2-(3-hydroxyoct-1-enyl)cyclopentyl]hept-5-enoic acid
CID 54213053
(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 91807823?
The IUPAC name of CID 91807823 (CID 91807823) is not available.
What is the SMILES notation for CID 91807823?
The canonical SMILES for CID 91807823 is [B]C(C=C[C@@H]1[C@@H](C/C=C\CCCC)[C@@H](OC)C[C@H]1O)OC.
What is the InChIKey of CID 91807823?
The InChIKey is VIHZJPWROUEDBI-FKNJWPKSSA-N. The full InChI is InChI=1S/C17H29BO3/c1-4-5-6-7-8-9-14-13(10-11-17(18)21-3)15(19)12-16(14)20-2/h7-8,10-11,13-17,19H,4-6,9,12H2,1-3H3/b8-7-,11-10?/t13-,14-,15-,16+,17?/m1/s1.
What are the key properties of CID 91807823?
CID 91807823 has a molecular weight of 292.23 g/mol, XLogP of 2.83, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 91807823 is sourced from PubChem (CID 91807823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).