5,5-dimethyl-2-prop-2-enoxyhex-1-en-3-yne

C11H16O — CID 134922243

IUPAC5,5-dimethyl-2-prop-2-enoxyhex-1-en-3-yne
SMILESC=CCOC(=C)C#CC(C)(C)C
InChIInChI=1S/C11H16O/c1-6-9-12-10(2)7-8-11(3,4)5/h6H,1-2,9H2,3-5H3
InChIKeyNVSLDHGGTJBWQO-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.75
Rot. Bonds3

About 5,5-dimethyl-2-prop-2-enoxyhex-1-en-3-yne

5,5-dimethyl-2-prop-2-enoxyhex-1-en-3-yne (PubChem CID 134922243) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 5,5-dimethyl-2-prop-2-enoxyhex-1-en-3-yne.

Molecular Properties

Compound Name5,5-dimethyl-2-prop-2-enoxyhex-1-en-3-yne
PubChem CID134922243
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name5,5-dimethyl-2-prop-2-enoxyhex-1-en-3-yne
SMILESC=CCOC(=C)C#CC(C)(C)C
InChIInChI=1S/C11H16O/c1-6-9-12-10(2)7-8-11(3,4)5/h6H,1-2,9H2,3-5H3
InChIKeyNVSLDHGGTJBWQO-UHFFFAOYSA-N
XLogP2.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Allyl-ethynyldimethylcarbinol
CID 13332059
Allyl neopentyl ether
CID 20038083
2,5-Dimethyl-2,5-bis[(prop-2-en-1-yl)oxy]hex-3-yne
CID 14450591
[(Z)-5,5-dimethyl-2-prop-2-enoxyhex-1-en-3-ynyl]-triethylgermane
CID 134922018
triethyl-[(Z)-5-methoxy-2-prop-2-enoxypent-1-en-3-ynyl]germane
CID 134922041
[(Z)-5-methoxy-2-prop-2-enoxypent-1-en-3-ynyl]-trimethylgermane
CID 134922115
[(Z)-5,5-dimethyl-2-prop-2-enoxyhex-1-en-3-ynyl]-trimethylsilane
CID 134922129
[(Z)-5,5-dimethyl-2-prop-2-enoxyhex-1-en-3-ynyl]-trimethylgermane
CID 134922210
5-Methoxy-2-prop-2-enoxypent-1-en-3-yne
CID 134989006
2-Heptyne, 1-(2-propenyloxy)-
CID 11457789
2,5-Bis(prop-2-enoxy)hex-3-yne
CID 54201306
4-Methyl-1-prop-2-enoxypent-2-yne
CID 57470526

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-prop-2-enoxyhex-1-en-3-yne?
The IUPAC name of 5,5-dimethyl-2-prop-2-enoxyhex-1-en-3-yne (CID 134922243) is 5,5-dimethyl-2-prop-2-enoxyhex-1-en-3-yne.
What is the SMILES notation for 5,5-dimethyl-2-prop-2-enoxyhex-1-en-3-yne?
The canonical SMILES for 5,5-dimethyl-2-prop-2-enoxyhex-1-en-3-yne is C=CCOC(=C)C#CC(C)(C)C.
What is the InChIKey of 5,5-dimethyl-2-prop-2-enoxyhex-1-en-3-yne?
The InChIKey is NVSLDHGGTJBWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-6-9-12-10(2)7-8-11(3,4)5/h6H,1-2,9H2,3-5H3.
What are the key properties of 5,5-dimethyl-2-prop-2-enoxyhex-1-en-3-yne?
5,5-dimethyl-2-prop-2-enoxyhex-1-en-3-yne has a molecular weight of 164.25 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-prop-2-enoxyhex-1-en-3-yne is sourced from PubChem (CID 134922243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).