5-methyl-5-prop-2-enoxyhept-1-en-6-yne

C11H16O — CID 14264720

IUPAC5-methyl-5-prop-2-enoxyhept-1-en-6-yne
SMILESC#CC(C)(CCC=C)OCC=C
InChIInChI=1S/C11H16O/c1-5-8-9-11(4,7-3)12-10-6-2/h3,5-6H,1-2,8-10H2,4H3
InChIKeyPRSQSJBTGNZVQU-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.55
Rot. Bonds6

About 5-methyl-5-prop-2-enoxyhept-1-en-6-yne

5-methyl-5-prop-2-enoxyhept-1-en-6-yne (PubChem CID 14264720) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 5-methyl-5-prop-2-enoxyhept-1-en-6-yne.

Molecular Properties

Compound Name5-methyl-5-prop-2-enoxyhept-1-en-6-yne
PubChem CID14264720
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name5-methyl-5-prop-2-enoxyhept-1-en-6-yne
SMILESC#CC(C)(CCC=C)OCC=C
InChIInChI=1S/C11H16O/c1-5-8-9-11(4,7-3)12-10-6-2/h3,5-6H,1-2,8-10H2,4H3
InChIKeyPRSQSJBTGNZVQU-UHFFFAOYSA-N
XLogP2.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 173131592
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5,5-bis(ethenyl)nona-1,8-diene
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2-hydroxy-2-methylhex-5-enenitrile
CID 22561336
(4R,5R)-4-methyl-4,5-bis(prop-2-enoxy)nona-1,8-diene
CID 10562662
2,2,4-trimethyl-4-prop-2-enoxypentane
CID 118027020
3-[but-3-enoxy(methyl)phosphoryl]oxy-3-methylbut-1-yne
CID 89235539
5-methoxy-5,6-dimethylhept-1-ene
CID 23385174
2-methylbut-3-yn-2-yl prop-2-enyl carbonate
CID 23169803
bis(3,3-dimethyloct-7-en-1-yn-4-yloxy)-oxophosphanium
CID 118572762
CID 87270455
CID 87270455
3-(bromomethyl)-3-methylhepta-1,6-diene
CID 165447101

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-prop-2-enoxyhept-1-en-6-yne?
The IUPAC name of 5-methyl-5-prop-2-enoxyhept-1-en-6-yne (CID 14264720) is 5-methyl-5-prop-2-enoxyhept-1-en-6-yne.
What is the SMILES notation for 5-methyl-5-prop-2-enoxyhept-1-en-6-yne?
The canonical SMILES for 5-methyl-5-prop-2-enoxyhept-1-en-6-yne is C#CC(C)(CCC=C)OCC=C.
What is the InChIKey of 5-methyl-5-prop-2-enoxyhept-1-en-6-yne?
The InChIKey is PRSQSJBTGNZVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-5-8-9-11(4,7-3)12-10-6-2/h3,5-6H,1-2,8-10H2,4H3.
What are the key properties of 5-methyl-5-prop-2-enoxyhept-1-en-6-yne?
5-methyl-5-prop-2-enoxyhept-1-en-6-yne has a molecular weight of 164.25 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-prop-2-enoxyhept-1-en-6-yne is sourced from PubChem (CID 14264720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).