2-methyl-6-(5-methylhex-5-en-3-ynoxy)hex-1-en-3-yne

C14H18O — CID 10821996

IUPAC2-methyl-6-(5-methylhex-5-en-3-ynoxy)hex-1-en-3-yne
SMILESC=C(C)C#CCCOCCC#CC(=C)C
InChIInChI=1S/C14H18O/c1-13(2)9-5-7-11-15-12-8-6-10-14(3)4/h1,3,7-8,11-12H2,2,4H3
InChIKeyOZIVCRRKPCYSRL-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.94
Rot. Bonds4

About 2-methyl-6-(5-methylhex-5-en-3-ynoxy)hex-1-en-3-yne

2-methyl-6-(5-methylhex-5-en-3-ynoxy)hex-1-en-3-yne (PubChem CID 10821996) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-methyl-6-(5-methylhex-5-en-3-ynoxy)hex-1-en-3-yne.

Molecular Properties

Compound Name2-methyl-6-(5-methylhex-5-en-3-ynoxy)hex-1-en-3-yne
PubChem CID10821996
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name2-methyl-6-(5-methylhex-5-en-3-ynoxy)hex-1-en-3-yne
SMILESC=C(C)C#CCCOCCC#CC(=C)C
InChIInChI=1S/C14H18O/c1-13(2)9-5-7-11-15-12-8-6-10-14(3)4/h1,3,7-8,11-12H2,2,4H3
InChIKeyOZIVCRRKPCYSRL-UHFFFAOYSA-N
XLogP2.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

5-Methoxy-2-methylpent-1-en-3-yne
CID 12546103
4-Methyl-pent-4-en-2-yn-1-yl prop-2-yn-1-yl ether
CID 15555097
1-(2-Methylprop-1-enyloxy)pent-2-yne
CID 125478602
Lithium 5-methoxy-2-methylpent-1-en-3-yne
CID 134906230
Ethoxyethane;2-methylprop-1-ene
CID 19913928
2-Methylprop-1-ene;1-propoxypropane
CID 143578147
Ethane;methoxyethane;2-methylprop-1-ene
CID 159073107
4-Ethoxy-2-methylbut-1-en-3-yne
CID 159473954
Methane;methoxyethane;2-methylprop-1-ene
CID 160764872
1-Butoxybutane;2-methylprop-1-ene
CID 174856875
6-Ethoxy-2-methylhex-2-en-4-yne
CID 12453686
6-Butoxy-2-methylhex-2-en-4-yne
CID 12453687

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(5-methylhex-5-en-3-ynoxy)hex-1-en-3-yne?
The IUPAC name of 2-methyl-6-(5-methylhex-5-en-3-ynoxy)hex-1-en-3-yne (CID 10821996) is 2-methyl-6-(5-methylhex-5-en-3-ynoxy)hex-1-en-3-yne.
What is the SMILES notation for 2-methyl-6-(5-methylhex-5-en-3-ynoxy)hex-1-en-3-yne?
The canonical SMILES for 2-methyl-6-(5-methylhex-5-en-3-ynoxy)hex-1-en-3-yne is C=C(C)C#CCCOCCC#CC(=C)C.
What is the InChIKey of 2-methyl-6-(5-methylhex-5-en-3-ynoxy)hex-1-en-3-yne?
The InChIKey is OZIVCRRKPCYSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-13(2)9-5-7-11-15-12-8-6-10-14(3)4/h1,3,7-8,11-12H2,2,4H3.
What are the key properties of 2-methyl-6-(5-methylhex-5-en-3-ynoxy)hex-1-en-3-yne?
2-methyl-6-(5-methylhex-5-en-3-ynoxy)hex-1-en-3-yne has a molecular weight of 202.30 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(5-methylhex-5-en-3-ynoxy)hex-1-en-3-yne is sourced from PubChem (CID 10821996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).