undec-10-enyl 2-bromo-2-methylpropanoate

C15H27BrO2 — CID 23113089

IUPACundec-10-enyl 2-bromo-2-methylpropanoate
SMILESC=CCCCCCCCCCOC(=O)C(C)(C)Br
InChIInChI=1S/C15H27BrO2/c1-4-5-6-7-8-9-10-11-12-13-18-14(17)15(2,3)16/h4H,1,5-13H2,2-3H3
InChIKeyRHLOSBPISIVGMQ-UHFFFAOYSA-N
MW319.28 g/mol
LogP5.01
Rot. Bonds11

About undec-10-enyl 2-bromo-2-methylpropanoate

undec-10-enyl 2-bromo-2-methylpropanoate (PubChem CID 23113089) has the molecular formula C15H27BrO2 and a molecular weight of 319.28 g/mol. Its IUPAC name is undec-10-enyl 2-bromo-2-methylpropanoate.

Molecular Properties

Compound Nameundec-10-enyl 2-bromo-2-methylpropanoate
PubChem CID23113089
Molecular FormulaC15H27BrO2
Molecular Weight319.28 g/mol
Exact Mass318.12
IUPAC Nameundec-10-enyl 2-bromo-2-methylpropanoate
SMILESC=CCCCCCCCCCOC(=O)C(C)(C)Br
InChIInChI=1S/C15H27BrO2/c1-4-5-6-7-8-9-10-11-12-13-18-14(17)15(2,3)16/h4H,1,5-13H2,2-3H3
InChIKeyRHLOSBPISIVGMQ-UHFFFAOYSA-N
XLogP5.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.28
LogP ≤ 55.01
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

hex-5-enyl 2-bromo-2-methylbutanoate
CID 141237616
pent-4-enyl 2-[(2-bromo-2-methylpropanoyl)oxymethyl]-3-methoxy-2-methylpropanoate
CID 146636468
methyl propanoate;undec-10-enyl 2-bromo-2-methyltetradec-13-enoate
CID 174552627
CID 175569451
CID 175569451
nonadec-18-enyl acetate
CID 87443633
undecyl 2-bromo-2-methylpropanoate
CID 87551125
pentadec-14-enyl acetate
CID 87443745
octadecyl 2-bromo-2-methylpropanoate
CID 71310893
pent-4-enyl 2-iodo-2-methylpropanoate
CID 11129735
6-(2-methylprop-2-enoyloxy)hexyl 2-bromo-2-methylpropanoate
CID 59782884
undec-10-enyl (E)-2-methylbut-2-enoate
CID 91701288
hex-5-enyl acetate
CID 537536

Frequently Asked Questions

What is the IUPAC name of undec-10-enyl 2-bromo-2-methylpropanoate?
The IUPAC name of undec-10-enyl 2-bromo-2-methylpropanoate (CID 23113089) is undec-10-enyl 2-bromo-2-methylpropanoate.
What is the SMILES notation for undec-10-enyl 2-bromo-2-methylpropanoate?
The canonical SMILES for undec-10-enyl 2-bromo-2-methylpropanoate is C=CCCCCCCCCCOC(=O)C(C)(C)Br.
What is the InChIKey of undec-10-enyl 2-bromo-2-methylpropanoate?
The InChIKey is RHLOSBPISIVGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27BrO2/c1-4-5-6-7-8-9-10-11-12-13-18-14(17)15(2,3)16/h4H,1,5-13H2,2-3H3.
What are the key properties of undec-10-enyl 2-bromo-2-methylpropanoate?
undec-10-enyl 2-bromo-2-methylpropanoate has a molecular weight of 319.28 g/mol, XLogP of 5.01, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for undec-10-enyl 2-bromo-2-methylpropanoate is sourced from PubChem (CID 23113089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).