10-bromodecyl 8-bromooctanoate

C18H34Br2O2 — CID 71420607

IUPAC10-bromodecyl 8-bromooctanoate
SMILESO=C(CCCCCCCBr)OCCCCCCCCCCBr
InChIInChI=1S/C18H34Br2O2/c19-15-11-7-3-1-2-4-9-13-17-22-18(21)14-10-6-5-8-12-16-20/h1-17H2
InChIKeyLXBWKZAQEPOEMH-UHFFFAOYSA-N
MW442.28 g/mol
LogP6.78
Rot. Bonds17

About 10-bromodecyl 8-bromooctanoate

10-bromodecyl 8-bromooctanoate (PubChem CID 71420607) has the molecular formula C18H34Br2O2 and a molecular weight of 442.28 g/mol. Its IUPAC name is 10-bromodecyl 8-bromooctanoate.

Molecular Properties

Compound Name10-bromodecyl 8-bromooctanoate
PubChem CID71420607
Molecular FormulaC18H34Br2O2
Molecular Weight442.28 g/mol
Exact Mass440.09
IUPAC Name10-bromodecyl 8-bromooctanoate
SMILESO=C(CCCCCCCBr)OCCCCCCCCCCBr
InChIInChI=1S/C18H34Br2O2/c19-15-11-7-3-1-2-4-9-13-17-22-18(21)14-10-6-5-8-12-16-20/h1-17H2
InChIKeyLXBWKZAQEPOEMH-UHFFFAOYSA-N
XLogP6.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.28
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(6-bromohexanoyloxy)hexyl 6-bromohexanoate
CID 20500750
8-bromooctyl 7-bromoheptanoate
CID 102434527
bis(4-bromobutyl) butanedioate
CID 90257094
2-(7-bromoheptanoyloxy)ethyl 7-bromoheptanoate
CID 176764920
9-hydroxynonyl 8-bromooctanoate
CID 71420603
bis(3-bromopropyl) hexanedioate
CID 11188379
7-bromoheptyl dodecanoate
CID 167312758
nonyl 7-bromoheptanoate
CID 167312747
9-bromononyl octanoate
CID 170743021
4-O-(7-bromoheptyl) 1-O-pentyl butanedioate
CID 91701512
2-fluoroethyl 6-bromohexanoate
CID 9846
bis(10-hydroxydecyl) tetradecanedioate
CID 171852033

Frequently Asked Questions

What is the IUPAC name of 10-bromodecyl 8-bromooctanoate?
The IUPAC name of 10-bromodecyl 8-bromooctanoate (CID 71420607) is 10-bromodecyl 8-bromooctanoate.
What is the SMILES notation for 10-bromodecyl 8-bromooctanoate?
The canonical SMILES for 10-bromodecyl 8-bromooctanoate is O=C(CCCCCCCBr)OCCCCCCCCCCBr.
What is the InChIKey of 10-bromodecyl 8-bromooctanoate?
The InChIKey is LXBWKZAQEPOEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34Br2O2/c19-15-11-7-3-1-2-4-9-13-17-22-18(21)14-10-6-5-8-12-16-20/h1-17H2.
What are the key properties of 10-bromodecyl 8-bromooctanoate?
10-bromodecyl 8-bromooctanoate has a molecular weight of 442.28 g/mol, XLogP of 6.78, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-bromodecyl 8-bromooctanoate is sourced from PubChem (CID 71420607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).