4-(methoxymethyl)-4-(5-methylhexa-2,4-dien-2-yl)oxane

C14H24O2 — CID 123825938

IUPAC4-(methoxymethyl)-4-(5-methylhexa-2,4-dien-2-yl)oxane
SMILESCOCC1(C(C)=CC=C(C)C)CCOCC1
InChIInChI=1S/C14H24O2/c1-12(2)5-6-13(3)14(11-15-4)7-9-16-10-8-14/h5-6H,7-11H2,1-4H3
InChIKeyDPQBZDWYEKCYRC-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.34
Rot. Bonds4

About 4-(methoxymethyl)-4-(5-methylhexa-2,4-dien-2-yl)oxane

4-(methoxymethyl)-4-(5-methylhexa-2,4-dien-2-yl)oxane (PubChem CID 123825938) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 4-(methoxymethyl)-4-(5-methylhexa-2,4-dien-2-yl)oxane.

Molecular Properties

Compound Name4-(methoxymethyl)-4-(5-methylhexa-2,4-dien-2-yl)oxane
PubChem CID123825938
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name4-(methoxymethyl)-4-(5-methylhexa-2,4-dien-2-yl)oxane
SMILESCOCC1(C(C)=CC=C(C)C)CCOCC1
InChIInChI=1S/C14H24O2/c1-12(2)5-6-13(3)14(11-15-4)7-9-16-10-8-14/h5-6H,7-11H2,1-4H3
InChIKeyDPQBZDWYEKCYRC-UHFFFAOYSA-N
XLogP3.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3-Fluoro-5-(2-methoxyethyl)-2,5-dimethylcyclohexa-1,3-diene
CID 146550843
5,5-Bis(methoxymethyl)-1,3-dimethyl-2-prop-1-en-2-ylcyclohexa-1,3-diene
CID 102149759
4-Methyl-4-(2-methylprop-1-enyl)oxane
CID 57602847
4-(2,2-Dimethylbutylidene)oxane
CID 118477135
4-Penta-2,4-dien-2-yloxane
CID 123816222
1,5-Dimethyl-5-(propoxymethyl)cyclohexa-1,3-diene
CID 141989686
4-(Methoxymethyl)-4-prop-1-en-2-yloxane
CID 144557126
4-Cyclohexa-1,5-dien-1-yl-4-methyloxane
CID 162365580
4-[(2Z,4Z)-hepta-2,4,6-trien-3-yl]oxane
CID 166778312
5-(4-Methoxybutoxymethyl)-5-methylcyclohexa-1,3-diene
CID 170120488
2-[1-(Ethoxymethyl)cyclopropyl]cyclohexa-1,3-diene
CID 170602007
3-[(3Z)-hexa-1,3,5-trien-2-yl]-3-methyloxolane
CID 145099814

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-4-(5-methylhexa-2,4-dien-2-yl)oxane?
The IUPAC name of 4-(methoxymethyl)-4-(5-methylhexa-2,4-dien-2-yl)oxane (CID 123825938) is 4-(methoxymethyl)-4-(5-methylhexa-2,4-dien-2-yl)oxane.
What is the SMILES notation for 4-(methoxymethyl)-4-(5-methylhexa-2,4-dien-2-yl)oxane?
The canonical SMILES for 4-(methoxymethyl)-4-(5-methylhexa-2,4-dien-2-yl)oxane is COCC1(C(C)=CC=C(C)C)CCOCC1.
What is the InChIKey of 4-(methoxymethyl)-4-(5-methylhexa-2,4-dien-2-yl)oxane?
The InChIKey is DPQBZDWYEKCYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-12(2)5-6-13(3)14(11-15-4)7-9-16-10-8-14/h5-6H,7-11H2,1-4H3.
What are the key properties of 4-(methoxymethyl)-4-(5-methylhexa-2,4-dien-2-yl)oxane?
4-(methoxymethyl)-4-(5-methylhexa-2,4-dien-2-yl)oxane has a molecular weight of 224.34 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-4-(5-methylhexa-2,4-dien-2-yl)oxane is sourced from PubChem (CID 123825938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).