(E)-3,7,11,15-tetramethylhexadec-2-enoyl bromide

C20H37BrO — CID 175222711

IUPAC(E)-3,7,11,15-tetramethylhexadec-2-enoyl bromide
SMILESC/C(=C\C(=O)Br)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C20H37BrO/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h15-18H,6-14H2,1-5H3/b19-15+
InChIKeyWHTBPJNAMSTPDX-XDJHFCHBSA-N
MW373.42 g/mol
LogP7.29
Rot. Bonds13

About (E)-3,7,11,15-tetramethylhexadec-2-enoyl bromide

(E)-3,7,11,15-tetramethylhexadec-2-enoyl bromide (PubChem CID 175222711) has the molecular formula C20H37BrO and a molecular weight of 373.42 g/mol. Its IUPAC name is (E)-3,7,11,15-tetramethylhexadec-2-enoyl bromide.

Molecular Properties

Compound Name(E)-3,7,11,15-tetramethylhexadec-2-enoyl bromide
PubChem CID175222711
Molecular FormulaC20H37BrO
Molecular Weight373.42 g/mol
Exact Mass372.20
IUPAC Name(E)-3,7,11,15-tetramethylhexadec-2-enoyl bromide
SMILESC/C(=C\C(=O)Br)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C20H37BrO/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h15-18H,6-14H2,1-5H3/b19-15+
InChIKeyWHTBPJNAMSTPDX-XDJHFCHBSA-N
XLogP7.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.42
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

germane;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid
CID 174380036
indigane;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid
CID 174327196
CID 170924185
CID 170924185
lithium;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid;bromide
CID 174970117
sodium;hydride;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid;zinc;hydrofluoride
CID 174346153
(E)-N-(1-hydroxypropyl)-3,7,11,15-tetramethylhexadec-2-enamide
CID 88643116
(14E,19E)-2,6,10,14,20,24,28,32-octamethyltritriaconta-14,19-dien-17-one
CID 6272650
4-hydroxy-7,11,15,19-tetramethylicosa-2,6-dien-5-one
CID 57023975
N,N-bis(2-hydroxyethyl)-3,7,11,15-tetramethylhexadec-2-enamide
CID 54096321
(E,7R,11R)-1-bromo-3,7,11,15-tetramethylhexadec-2-ene
CID 12905048
(E,7S,11S)-1-bromo-3,7,11,15-tetramethylhexadec-2-ene
CID 12905050
(Z,7R,11R)-3,7,11,15-tetramethylhexadec-2-enal
CID 14035235

Frequently Asked Questions

What is the IUPAC name of (E)-3,7,11,15-tetramethylhexadec-2-enoyl bromide?
The IUPAC name of (E)-3,7,11,15-tetramethylhexadec-2-enoyl bromide (CID 175222711) is (E)-3,7,11,15-tetramethylhexadec-2-enoyl bromide.
What is the SMILES notation for (E)-3,7,11,15-tetramethylhexadec-2-enoyl bromide?
The canonical SMILES for (E)-3,7,11,15-tetramethylhexadec-2-enoyl bromide is C/C(=C\C(=O)Br)CCCC(C)CCCC(C)CCCC(C)C.
What is the InChIKey of (E)-3,7,11,15-tetramethylhexadec-2-enoyl bromide?
The InChIKey is WHTBPJNAMSTPDX-XDJHFCHBSA-N. The full InChI is InChI=1S/C20H37BrO/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h15-18H,6-14H2,1-5H3/b19-15+.
What are the key properties of (E)-3,7,11,15-tetramethylhexadec-2-enoyl bromide?
(E)-3,7,11,15-tetramethylhexadec-2-enoyl bromide has a molecular weight of 373.42 g/mol, XLogP of 7.29, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,7,11,15-tetramethylhexadec-2-enoyl bromide is sourced from PubChem (CID 175222711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).