CID 142314923

C24H37B2O2 — CID 142314923

IUPAC—
SMILES[B]c1cc(CCCCC=C)c([B]OC(C)(C)C(C)(C)O)cc1CCCCC=C
InChIInChI=1S/C24H37B2O2/c1-7-9-11-13-15-19-18-22(26-28-24(5,6)23(3,4)27)20(17-21(19)25)16-14-12-10-8-2/h7-8,17-18,27H,1-2,9-16H2,3-6H3
InChIKeyQNRMFZTVRCMQTH-UHFFFAOYSA-N
MW379.18 g/mol
LogP4.09
Rot. Bonds14

About CID 142314923

CID 142314923 (PubChem CID 142314923) has the molecular formula C24H37B2O2 and a molecular weight of 379.18 g/mol.

Molecular Properties

Compound NameCID 142314923
PubChem CID142314923
Molecular FormulaC24H37B2O2
Molecular Weight379.18 g/mol
Exact Mass379.30
IUPAC Name—
SMILES[B]c1cc(CCCCC=C)c([B]OC(C)(C)C(C)(C)O)cc1CCCCC=C
InChIInChI=1S/C24H37B2O2/c1-7-9-11-13-15-19-18-22(26-28-24(5,6)23(3,4)27)20(17-21(19)25)16-14-12-10-8-2/h7-8,17-18,27H,1-2,9-16H2,3-6H3
InChIKeyQNRMFZTVRCMQTH-UHFFFAOYSA-N
XLogP4.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.18
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of CID 142314923?
The IUPAC name of CID 142314923 (CID 142314923) is not available.
What is the SMILES notation for CID 142314923?
The canonical SMILES for CID 142314923 is [B]c1cc(CCCCC=C)c([B]OC(C)(C)C(C)(C)O)cc1CCCCC=C.
What is the InChIKey of CID 142314923?
The InChIKey is QNRMFZTVRCMQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37B2O2/c1-7-9-11-13-15-19-18-22(26-28-24(5,6)23(3,4)27)20(17-21(19)25)16-14-12-10-8-2/h7-8,17-18,27H,1-2,9-16H2,3-6H3.
What are the key properties of CID 142314923?
CID 142314923 has a molecular weight of 379.18 g/mol, XLogP of 4.09, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 142314923 is sourced from PubChem (CID 142314923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).