CID 58960283

C15H27BO3 — CID 58960283

IUPAC—
SMILES[B]C(O)CC[C@@H]1[C@@H](C/C=C\CCCC)[C@@H](O)C[C@H]1O
InChIInChI=1S/C15H27BO3/c1-2-3-4-5-6-7-11-12(8-9-15(16)19)14(18)10-13(11)17/h5-6,11-15,17-19H,2-4,7-10H2,1H3/b6-5-/t11-,12-,13+,14-,15?/m1/s1
InChIKeyFWATZXRXCYDYCI-RQYYMEOHSA-N
MW266.19 g/mol
LogP1.75
Rot. Bonds8

About CID 58960283

CID 58960283 (PubChem CID 58960283) has the molecular formula C15H27BO3 and a molecular weight of 266.19 g/mol.

Molecular Properties

Compound NameCID 58960283
PubChem CID58960283
Molecular FormulaC15H27BO3
Molecular Weight266.19 g/mol
Exact Mass266.21
IUPAC Name—
SMILES[B]C(O)CC[C@@H]1[C@@H](C/C=C\CCCC)[C@@H](O)C[C@H]1O
InChIInChI=1S/C15H27BO3/c1-2-3-4-5-6-7-11-12(8-9-15(16)19)14(18)10-13(11)17/h5-6,11-15,17-19H,2-4,7-10H2,1H3/b6-5-/t11-,12-,13+,14-,15?/m1/s1
InChIKeyFWATZXRXCYDYCI-RQYYMEOHSA-N
XLogP1.75
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.19
LogP ≤ 51.75
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

cis-(1S,3R)-4-[(Z)-hept-2-enyl]-5-(2-hydroxybutyl)cyclopentane-1,3-diol
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4-[(Z)-hept-2-enyl]-5-(3-hydroxy-5-phenylpentyl)cyclopentane-1,3-diol
CID 91525648
CID 89201023
CID 89201023
(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxydecyl]cyclopentyl]hept-5-enoic acid
CID 70827516
(3S)-3-(4-fluoro-3-hydroxyoctyl)-2-[(Z)-hept-2-enyl]-4-methylcyclopentan-1-ol
CID 59963488
propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-oct-3-enyl]cyclopentyl]hept-5-enoate
CID 67721476
4-[(E)-7-hydroxyhept-2-enyl]-5-[(E)-3-hydroxyoct-6-enyl]cyclopentane-1,3-diol
CID 20670097
3-hept-2-enyl-2-(3-hydroxy-5-phenylpentyl)-4-methylcyclopentan-1-ol
CID 91429721
cis-(1R,3S)-4-[(Z)-7-hydroxyhept-2-enyl]-5-[(E)-6-hydroxyoct-2-enyl]cyclopentane-1,3-diol
CID 70117456
CID 21049102
CID 21049102
(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-phosphanyloxyhexyl]cyclopentyl]hept-5-enoic acid
CID 90717045
2-[(1S,2S,3S,5R)-3,5-dihydroxy-2-(3-hydroxyoctyl)cyclopentyl]acetaldehyde
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Frequently Asked Questions

What is the IUPAC name of CID 58960283?
The IUPAC name of CID 58960283 (CID 58960283) is not available.
What is the SMILES notation for CID 58960283?
The canonical SMILES for CID 58960283 is [B]C(O)CC[C@@H]1[C@@H](C/C=C\CCCC)[C@@H](O)C[C@H]1O.
What is the InChIKey of CID 58960283?
The InChIKey is FWATZXRXCYDYCI-RQYYMEOHSA-N. The full InChI is InChI=1S/C15H27BO3/c1-2-3-4-5-6-7-11-12(8-9-15(16)19)14(18)10-13(11)17/h5-6,11-15,17-19H,2-4,7-10H2,1H3/b6-5-/t11-,12-,13+,14-,15?/m1/s1.
What are the key properties of CID 58960283?
CID 58960283 has a molecular weight of 266.19 g/mol, XLogP of 1.75, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58960283 is sourced from PubChem (CID 58960283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).