(2Z)-1-hexoxy-3,7-dimethylocta-2,6-diene

C16H30O — CID 175472632

IUPAC(2Z)-1-hexoxy-3,7-dimethylocta-2,6-diene
SMILESCCCCCCOC/C=C(/C)CCC=C(C)C
InChIInChI=1S/C16H30O/c1-5-6-7-8-13-17-14-12-16(4)11-9-10-15(2)3/h10,12H,5-9,11,13-14H2,1-4H3/b16-12-
InChIKeyALGATNJNWIGYPY-VBKFSLOCSA-N
MW238.41 g/mol
LogP5.28
Rot. Bonds10

About (2Z)-1-hexoxy-3,7-dimethylocta-2,6-diene

(2Z)-1-hexoxy-3,7-dimethylocta-2,6-diene (PubChem CID 175472632) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is (2Z)-1-hexoxy-3,7-dimethylocta-2,6-diene.

Molecular Properties

Compound Name(2Z)-1-hexoxy-3,7-dimethylocta-2,6-diene
PubChem CID175472632
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name(2Z)-1-hexoxy-3,7-dimethylocta-2,6-diene
SMILESCCCCCCOC/C=C(/C)CCC=C(C)C
InChIInChI=1S/C16H30O/c1-5-6-7-8-13-17-14-12-16(4)11-9-10-15(2)3/h10,12H,5-9,11,13-14H2,1-4H3/b16-12-
InChIKeyALGATNJNWIGYPY-VBKFSLOCSA-N
XLogP5.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.41
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-1-hexoxy-3,7-dimethylocta-2,6-diene?
The IUPAC name of (2Z)-1-hexoxy-3,7-dimethylocta-2,6-diene (CID 175472632) is (2Z)-1-hexoxy-3,7-dimethylocta-2,6-diene.
What is the SMILES notation for (2Z)-1-hexoxy-3,7-dimethylocta-2,6-diene?
The canonical SMILES for (2Z)-1-hexoxy-3,7-dimethylocta-2,6-diene is CCCCCCOC/C=C(/C)CCC=C(C)C.
What is the InChIKey of (2Z)-1-hexoxy-3,7-dimethylocta-2,6-diene?
The InChIKey is ALGATNJNWIGYPY-VBKFSLOCSA-N. The full InChI is InChI=1S/C16H30O/c1-5-6-7-8-13-17-14-12-16(4)11-9-10-15(2)3/h10,12H,5-9,11,13-14H2,1-4H3/b16-12-.
What are the key properties of (2Z)-1-hexoxy-3,7-dimethylocta-2,6-diene?
(2Z)-1-hexoxy-3,7-dimethylocta-2,6-diene has a molecular weight of 238.41 g/mol, XLogP of 5.28, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1-hexoxy-3,7-dimethylocta-2,6-diene is sourced from PubChem (CID 175472632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).