3-(methoxymethoxy)-4,4-dimethylhept-1-en-6-yne

C11H18O2 — CID 14465181

IUPAC3-(methoxymethoxy)-4,4-dimethylhept-1-en-6-yne
SMILESC#CCC(C)(C)C(C=C)OCOC
InChIInChI=1S/C11H18O2/c1-6-8-11(3,4)10(7-2)13-9-12-5/h1,7,10H,2,8-9H2,3-5H3
InChIKeyLZQJDVVNNGVLKK-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.21
Rot. Bonds6

About 3-(methoxymethoxy)-4,4-dimethylhept-1-en-6-yne

3-(methoxymethoxy)-4,4-dimethylhept-1-en-6-yne (PubChem CID 14465181) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 3-(methoxymethoxy)-4,4-dimethylhept-1-en-6-yne.

Molecular Properties

Compound Name3-(methoxymethoxy)-4,4-dimethylhept-1-en-6-yne
PubChem CID14465181
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name3-(methoxymethoxy)-4,4-dimethylhept-1-en-6-yne
SMILESC#CCC(C)(C)C(C=C)OCOC
InChIInChI=1S/C11H18O2/c1-6-8-11(3,4)10(7-2)13-9-12-5/h1,7,10H,2,8-9H2,3-5H3
InChIKeyLZQJDVVNNGVLKK-UHFFFAOYSA-N
XLogP2.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(4R,6R)-4-ethenyl-2,2,5,5-tetramethyl-6-prop-2-ynyl-1,3-dioxane
CID 10943699
(4S,6R)-4-ethenyl-2,2,5,5-tetramethyl-6-prop-2-ynyl-1,3-dioxane
CID 10943700
5,5-Dimethyloct-1-en-7-yn-3-yl methyl carbonate
CID 15726912
3-(Ethoxymethoxy)hept-1-en-6-yne
CID 101073789
3-(Ethoxymethoxy)oct-1-en-6-yne
CID 101073793
3-(Ethoxymethoxy)-4,4-dimethylhept-1-en-6-yne
CID 101073797
(3S,4S)-3-(methoxymethoxy)-4-methylhepta-1,6-diene
CID 101734996
(3R,4R,5R)-3,5-bis(methoxymethoxy)-4-methyloct-1-en-7-yne
CID 164994193

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethoxy)-4,4-dimethylhept-1-en-6-yne?
The IUPAC name of 3-(methoxymethoxy)-4,4-dimethylhept-1-en-6-yne (CID 14465181) is 3-(methoxymethoxy)-4,4-dimethylhept-1-en-6-yne.
What is the SMILES notation for 3-(methoxymethoxy)-4,4-dimethylhept-1-en-6-yne?
The canonical SMILES for 3-(methoxymethoxy)-4,4-dimethylhept-1-en-6-yne is C#CCC(C)(C)C(C=C)OCOC.
What is the InChIKey of 3-(methoxymethoxy)-4,4-dimethylhept-1-en-6-yne?
The InChIKey is LZQJDVVNNGVLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-6-8-11(3,4)10(7-2)13-9-12-5/h1,7,10H,2,8-9H2,3-5H3.
What are the key properties of 3-(methoxymethoxy)-4,4-dimethylhept-1-en-6-yne?
3-(methoxymethoxy)-4,4-dimethylhept-1-en-6-yne has a molecular weight of 182.26 g/mol, XLogP of 2.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethoxy)-4,4-dimethylhept-1-en-6-yne is sourced from PubChem (CID 14465181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).