2-[(3Z)-2,6-dimethylhepta-3,5-dienyl]-4-methyloxane

C15H26O — CID 134897609

IUPAC2-[(3Z)-2,6-dimethylhepta-3,5-dienyl]-4-methyloxane
SMILESCC(C)=C/C=C\C(C)CC1CC(C)CCO1
InChIInChI=1S/C15H26O/c1-12(2)6-5-7-13(3)10-15-11-14(4)8-9-16-15/h5-7,13-15H,8-11H2,1-4H3/b7-5-
InChIKeyUJFMWWBHHMIZIZ-ALCCZGGFSA-N
MW222.37 g/mol
LogP4.35
Rot. Bonds4

About 2-[(3Z)-2,6-dimethylhepta-3,5-dienyl]-4-methyloxane

2-[(3Z)-2,6-dimethylhepta-3,5-dienyl]-4-methyloxane (PubChem CID 134897609) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 2-[(3Z)-2,6-dimethylhepta-3,5-dienyl]-4-methyloxane.

Molecular Properties

Compound Name2-[(3Z)-2,6-dimethylhepta-3,5-dienyl]-4-methyloxane
PubChem CID134897609
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name2-[(3Z)-2,6-dimethylhepta-3,5-dienyl]-4-methyloxane
SMILESCC(C)=C/C=C\C(C)CC1CC(C)CCO1
InChIInChI=1S/C15H26O/c1-12(2)6-5-7-13(3)10-15-11-14(4)8-9-16-15/h5-7,13-15H,8-11H2,1-4H3/b7-5-
InChIKeyUJFMWWBHHMIZIZ-ALCCZGGFSA-N
XLogP4.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.35
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 2-[(3Z)-2,6-dimethylhepta-3,5-dienyl]-4-methyloxane?
The IUPAC name of 2-[(3Z)-2,6-dimethylhepta-3,5-dienyl]-4-methyloxane (CID 134897609) is 2-[(3Z)-2,6-dimethylhepta-3,5-dienyl]-4-methyloxane.
What is the SMILES notation for 2-[(3Z)-2,6-dimethylhepta-3,5-dienyl]-4-methyloxane?
The canonical SMILES for 2-[(3Z)-2,6-dimethylhepta-3,5-dienyl]-4-methyloxane is CC(C)=C/C=C\C(C)CC1CC(C)CCO1.
What is the InChIKey of 2-[(3Z)-2,6-dimethylhepta-3,5-dienyl]-4-methyloxane?
The InChIKey is UJFMWWBHHMIZIZ-ALCCZGGFSA-N. The full InChI is InChI=1S/C15H26O/c1-12(2)6-5-7-13(3)10-15-11-14(4)8-9-16-15/h5-7,13-15H,8-11H2,1-4H3/b7-5-.
What are the key properties of 2-[(3Z)-2,6-dimethylhepta-3,5-dienyl]-4-methyloxane?
2-[(3Z)-2,6-dimethylhepta-3,5-dienyl]-4-methyloxane has a molecular weight of 222.37 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3Z)-2,6-dimethylhepta-3,5-dienyl]-4-methyloxane is sourced from PubChem (CID 134897609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).