3,7-dimethylocta-2,4,6-trien-1-ol

C10H16O — CID 533989

IUPAC3,7-dimethylocta-2,4,6-trien-1-ol
SMILESCC(C)=CC=CC(C)=CCO
InChIInChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h4-7,11H,8H2,1-3H3
InChIKeyANRXPGZZNZBSTD-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.45
Rot. Bonds3

About 3,7-dimethylocta-2,4,6-trien-1-ol

3,7-dimethylocta-2,4,6-trien-1-ol (PubChem CID 533989) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 3,7-dimethylocta-2,4,6-trien-1-ol.

Molecular Properties

Compound Name3,7-dimethylocta-2,4,6-trien-1-ol
PubChem CID533989
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name3,7-dimethylocta-2,4,6-trien-1-ol
SMILESCC(C)=CC=CC(C)=CCO
InChIInChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h4-7,11H,8H2,1-3H3
InChIKeyANRXPGZZNZBSTD-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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethylocta-2,4,6-trien-1-ol?
The IUPAC name of 3,7-dimethylocta-2,4,6-trien-1-ol (CID 533989) is 3,7-dimethylocta-2,4,6-trien-1-ol.
What is the SMILES notation for 3,7-dimethylocta-2,4,6-trien-1-ol?
The canonical SMILES for 3,7-dimethylocta-2,4,6-trien-1-ol is CC(C)=CC=CC(C)=CCO.
What is the InChIKey of 3,7-dimethylocta-2,4,6-trien-1-ol?
The InChIKey is ANRXPGZZNZBSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h4-7,11H,8H2,1-3H3.
What are the key properties of 3,7-dimethylocta-2,4,6-trien-1-ol?
3,7-dimethylocta-2,4,6-trien-1-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 3,7-dimethylocta-2,4,6-trien-1-ol is sourced from PubChem (CID 533989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).