(E)-1-bromo-3-methyldec-3-en-1-yne

C11H17Br — CID 10443782

IUPAC(E)-1-bromo-3-methyldec-3-en-1-yne
SMILESCCCCCC/C=C(\C)C#CBr
InChIInChI=1S/C11H17Br/c1-3-4-5-6-7-8-11(2)9-10-12/h8H,3-7H2,1-2H3/b11-8+
InChIKeyLPVYFISEFSVENX-DHZHZOJOSA-N
MW229.16 g/mol
LogP4.26
Rot. Bonds5

About (E)-1-bromo-3-methyldec-3-en-1-yne

(E)-1-bromo-3-methyldec-3-en-1-yne (PubChem CID 10443782) has the molecular formula C11H17Br and a molecular weight of 229.16 g/mol. Its IUPAC name is (E)-1-bromo-3-methyldec-3-en-1-yne.

Molecular Properties

Compound Name(E)-1-bromo-3-methyldec-3-en-1-yne
PubChem CID10443782
Molecular FormulaC11H17Br
Molecular Weight229.16 g/mol
Exact Mass228.05
IUPAC Name(E)-1-bromo-3-methyldec-3-en-1-yne
SMILESCCCCCC/C=C(\C)C#CBr
InChIInChI=1S/C11H17Br/c1-3-4-5-6-7-8-11(2)9-10-12/h8H,3-7H2,1-2H3/b11-8+
InChIKeyLPVYFISEFSVENX-DHZHZOJOSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.16
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-methylicos-2-enenitrile
CID 175504471
2-methylhenicos-2-ene;dihydrobromide
CID 175068359
1,1-dibromotridec-1-ene
CID 14681915
1,1-diiodonon-1-ene
CID 141002826
(Z)-3-methylheptadec-3-ene
CID 159647191
3-methylicos-3-ene
CID 91445266
(Z)-3-methylpentadec-3-ene
CID 14954714
(E)-2-iodonon-2-ene
CID 10444893
3-methyloctadec-3-ene
CID 91073568
(Z)-2-methylnon-2-enoic acid
CID 19098031
(E)-2-methylnonacos-2-enoic acid
CID 87108662
2-methylhentriacont-2-enoic acid
CID 141160211

Frequently Asked Questions

What is the IUPAC name of (E)-1-bromo-3-methyldec-3-en-1-yne?
The IUPAC name of (E)-1-bromo-3-methyldec-3-en-1-yne (CID 10443782) is (E)-1-bromo-3-methyldec-3-en-1-yne.
What is the SMILES notation for (E)-1-bromo-3-methyldec-3-en-1-yne?
The canonical SMILES for (E)-1-bromo-3-methyldec-3-en-1-yne is CCCCCC/C=C(\C)C#CBr.
What is the InChIKey of (E)-1-bromo-3-methyldec-3-en-1-yne?
The InChIKey is LPVYFISEFSVENX-DHZHZOJOSA-N. The full InChI is InChI=1S/C11H17Br/c1-3-4-5-6-7-8-11(2)9-10-12/h8H,3-7H2,1-2H3/b11-8+.
What are the key properties of (E)-1-bromo-3-methyldec-3-en-1-yne?
(E)-1-bromo-3-methyldec-3-en-1-yne has a molecular weight of 229.16 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-bromo-3-methyldec-3-en-1-yne is sourced from PubChem (CID 10443782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).