2,5-dimethylocta-1,4,6-trien-3-ol

C10H16O — CID 54571338

IUPAC2,5-dimethylocta-1,4,6-trien-3-ol
SMILESC=C(C)C(O)C=C(C)C=CC
InChIInChI=1S/C10H16O/c1-5-6-9(4)7-10(11)8(2)3/h5-7,10-11H,2H2,1,3-4H3
InChIKeyZXLRYSJIDGQNPT-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.45
Rot. Bonds3

About 2,5-dimethylocta-1,4,6-trien-3-ol

2,5-dimethylocta-1,4,6-trien-3-ol (PubChem CID 54571338) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2,5-dimethylocta-1,4,6-trien-3-ol.

Molecular Properties

Compound Name2,5-dimethylocta-1,4,6-trien-3-ol
PubChem CID54571338
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2,5-dimethylocta-1,4,6-trien-3-ol
SMILESC=C(C)C(O)C=C(C)C=CC
InChIInChI=1S/C10H16O/c1-5-6-9(4)7-10(11)8(2)3/h5-7,10-11H,2H2,1,3-4H3
InChIKeyZXLRYSJIDGQNPT-UHFFFAOYSA-N
XLogP2.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;(2Z,4Z)-3-methylhexa-2,4-diene;prop-1-ene
CID 142046723
4-methylhepta-3,5-dien-2-amine
CID 123570929
(Z)-but-2-ene;ethane;(2Z,4Z)-3-methylhexa-2,4-diene
CID 142057667
5-methylocta-4,6-diene-1,3-diol
CID 150016637
(3R)-2-methylpenta-1,4-dien-3-ol
CID 102163423
2-hydroxy-3-methylbut-3-enal
CID 79178156
ethane;(3E,5Z)-4-methylhepta-1,3,5-trien-2-amine
CID 143375975
ethane;(3E)-2-methylpenta-1,3-diene
CID 143682849
ethane;(3Z)-2-methylpenta-1,3-diene
CID 142023424
(4E)-4,6,6-trimethylhepta-2,4-diene
CID 177420463
3,7,9-trimethyldodeca-8,10-dien-6-ol
CID 73121037
N-[(1Z,3E)-2-methylpenta-1,3-dienyl]methanimine
CID 89119181

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylocta-1,4,6-trien-3-ol?
The IUPAC name of 2,5-dimethylocta-1,4,6-trien-3-ol (CID 54571338) is 2,5-dimethylocta-1,4,6-trien-3-ol.
What is the SMILES notation for 2,5-dimethylocta-1,4,6-trien-3-ol?
The canonical SMILES for 2,5-dimethylocta-1,4,6-trien-3-ol is C=C(C)C(O)C=C(C)C=CC.
What is the InChIKey of 2,5-dimethylocta-1,4,6-trien-3-ol?
The InChIKey is ZXLRYSJIDGQNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-5-6-9(4)7-10(11)8(2)3/h5-7,10-11H,2H2,1,3-4H3.
What are the key properties of 2,5-dimethylocta-1,4,6-trien-3-ol?
2,5-dimethylocta-1,4,6-trien-3-ol has a molecular weight of 152.24 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylocta-1,4,6-trien-3-ol is sourced from PubChem (CID 54571338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).