6-ethenoxy-2-methyldodec-2-en-7-yne

C15H24O — CID 102386245

IUPAC6-ethenoxy-2-methyldodec-2-en-7-yne
SMILESC=COC(C#CCCCC)CCC=C(C)C
InChIInChI=1S/C15H24O/c1-5-7-8-9-12-15(16-6-2)13-10-11-14(3)4/h6,11,15H,2,5,7-8,10,13H2,1,3-4H3
InChIKeyCLNIDKJZXXZMTG-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.46
Rot. Bonds7

About 6-ethenoxy-2-methyldodec-2-en-7-yne

6-ethenoxy-2-methyldodec-2-en-7-yne (PubChem CID 102386245) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 6-ethenoxy-2-methyldodec-2-en-7-yne.

Molecular Properties

Compound Name6-ethenoxy-2-methyldodec-2-en-7-yne
PubChem CID102386245
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name6-ethenoxy-2-methyldodec-2-en-7-yne
SMILESC=COC(C#CCCCC)CCC=C(C)C
InChIInChI=1S/C15H24O/c1-5-7-8-9-12-15(16-6-2)13-10-11-14(3)4/h6,11,15H,2,5,7-8,10,13H2,1,3-4H3
InChIKeyCLNIDKJZXXZMTG-UHFFFAOYSA-N
XLogP4.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 15638524
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CID 14691510
diethyl 2-non-1-en-4-yn-3-ylpropanedioate
CID 101052810
8-methylnon-7-en-2-yn-1-ol
CID 130127240
(7R,8S)-2-methyloctadec-2-ene-7,8-diol
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7-methyl-3-propan-2-ylocta-1,6-diene
CID 59961464
(9R,10S)-9,10-bis(ethenyl)octadeca-5,13-diyne
CID 100953556
(1Z)-4-ethenyl-8-methyl-1-pentoxynona-1,7-diene
CID 173288957
(2R)-N-butyl-6-methylhept-5-en-2-amine
CID 121451100
icosa-6,15-diyn-5-ol
CID 18710567
7-methoxyundec-10-en-5-ynoic acid
CID 11528588
tert-butyl-[(4S)-dec-5-yn-4-yl]oxy-dimethylsilane
CID 154722512

Frequently Asked Questions

What is the IUPAC name of 6-ethenoxy-2-methyldodec-2-en-7-yne?
The IUPAC name of 6-ethenoxy-2-methyldodec-2-en-7-yne (CID 102386245) is 6-ethenoxy-2-methyldodec-2-en-7-yne.
What is the SMILES notation for 6-ethenoxy-2-methyldodec-2-en-7-yne?
The canonical SMILES for 6-ethenoxy-2-methyldodec-2-en-7-yne is C=COC(C#CCCCC)CCC=C(C)C.
What is the InChIKey of 6-ethenoxy-2-methyldodec-2-en-7-yne?
The InChIKey is CLNIDKJZXXZMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-5-7-8-9-12-15(16-6-2)13-10-11-14(3)4/h6,11,15H,2,5,7-8,10,13H2,1,3-4H3.
What are the key properties of 6-ethenoxy-2-methyldodec-2-en-7-yne?
6-ethenoxy-2-methyldodec-2-en-7-yne has a molecular weight of 220.36 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenoxy-2-methyldodec-2-en-7-yne is sourced from PubChem (CID 102386245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).