3-[(2E)-3,5-dimethylhexa-2,4-dien-2-yl]-5-methyloxane

C14H24O — CID 58718712

IUPAC3-[(2E)-3,5-dimethylhexa-2,4-dien-2-yl]-5-methyloxane
SMILESCC(C)=C/C(C)=C(\C)C1COCC(C)C1
InChIInChI=1S/C14H24O/c1-10(2)6-12(4)13(5)14-7-11(3)8-15-9-14/h6,11,14H,7-9H2,1-5H3/b13-12+
InChIKeyXJQFAPCRXHVPEQ-OUKQBFOZSA-N
MW208.34 g/mol
LogP3.96
Rot. Bonds2

About 3-[(2E)-3,5-dimethylhexa-2,4-dien-2-yl]-5-methyloxane

3-[(2E)-3,5-dimethylhexa-2,4-dien-2-yl]-5-methyloxane (PubChem CID 58718712) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 3-[(2E)-3,5-dimethylhexa-2,4-dien-2-yl]-5-methyloxane.

Molecular Properties

Compound Name3-[(2E)-3,5-dimethylhexa-2,4-dien-2-yl]-5-methyloxane
PubChem CID58718712
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name3-[(2E)-3,5-dimethylhexa-2,4-dien-2-yl]-5-methyloxane
SMILESCC(C)=C/C(C)=C(\C)C1COCC(C)C1
InChIInChI=1S/C14H24O/c1-10(2)6-12(4)13(5)14-7-11(3)8-15-9-14/h6,11,14H,7-9H2,1-5H3/b13-12+
InChIKeyXJQFAPCRXHVPEQ-OUKQBFOZSA-N
XLogP3.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2E)-3,5-dimethylhexa-2,4-dien-2-yl]-5-methyloxane?
The IUPAC name of 3-[(2E)-3,5-dimethylhexa-2,4-dien-2-yl]-5-methyloxane (CID 58718712) is 3-[(2E)-3,5-dimethylhexa-2,4-dien-2-yl]-5-methyloxane.
What is the SMILES notation for 3-[(2E)-3,5-dimethylhexa-2,4-dien-2-yl]-5-methyloxane?
The canonical SMILES for 3-[(2E)-3,5-dimethylhexa-2,4-dien-2-yl]-5-methyloxane is CC(C)=C/C(C)=C(\C)C1COCC(C)C1.
What is the InChIKey of 3-[(2E)-3,5-dimethylhexa-2,4-dien-2-yl]-5-methyloxane?
The InChIKey is XJQFAPCRXHVPEQ-OUKQBFOZSA-N. The full InChI is InChI=1S/C14H24O/c1-10(2)6-12(4)13(5)14-7-11(3)8-15-9-14/h6,11,14H,7-9H2,1-5H3/b13-12+.
What are the key properties of 3-[(2E)-3,5-dimethylhexa-2,4-dien-2-yl]-5-methyloxane?
3-[(2E)-3,5-dimethylhexa-2,4-dien-2-yl]-5-methyloxane has a molecular weight of 208.34 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E)-3,5-dimethylhexa-2,4-dien-2-yl]-5-methyloxane is sourced from PubChem (CID 58718712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).