CID 57170369

C18H35BO2 — CID 57170369

IUPAC—
SMILES[B]OC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C18H35BO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)21-19/h2-17H2,1H3
InChIKeyOVVSBVAQZOYWKE-UHFFFAOYSA-N
MW294.29 g/mol
LogP5.87
Rot. Bonds16

About CID 57170369

CID 57170369 (PubChem CID 57170369) has the molecular formula C18H35BO2 and a molecular weight of 294.29 g/mol.

Molecular Properties

Compound NameCID 57170369
PubChem CID57170369
Molecular FormulaC18H35BO2
Molecular Weight294.29 g/mol
Exact Mass294.27
IUPAC Name—
SMILES[B]OC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C18H35BO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)21-19/h2-17H2,1H3
InChIKeyOVVSBVAQZOYWKE-UHFFFAOYSA-N
XLogP5.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.29
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

heptadecanoyl heptadecaneperoxoate
CID 53438513
henicosanoyl docosanoate
CID 175302110
pentadecanoyl hexadecanoate
CID 87499774
ditetradecanoyl hexanedioate
CID 175560209
heptanoyl octaneperoxoate
CID 142686679
hexatriacontanoyl heptatriacontanoate
CID 135353262
octadecanoyl octatriacontanoate
CID 141042185
octanoyl tridecaneperoxoate
CID 141014591
propanoyl dodecaneperoxoate
CID 88596729
ethane;octadecanoyl octadecanoate
CID 174636018
methyl heptadecanoate
CID 15609
dodecanoyl dodecanoate;sulfane
CID 174888621

Frequently Asked Questions

What is the IUPAC name of CID 57170369?
The IUPAC name of CID 57170369 (CID 57170369) is not available.
What is the SMILES notation for CID 57170369?
The canonical SMILES for CID 57170369 is [B]OC(=O)CCCCCCCCCCCCCCCCC.
What is the InChIKey of CID 57170369?
The InChIKey is OVVSBVAQZOYWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35BO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)21-19/h2-17H2,1H3.
What are the key properties of CID 57170369?
CID 57170369 has a molecular weight of 294.29 g/mol, XLogP of 5.87, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57170369 is sourced from PubChem (CID 57170369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).