(4E)-3,6-dimethylocta-1,4-dien-3-ol

C10H18O — CID 20526736

IUPAC(4E)-3,6-dimethylocta-1,4-dien-3-ol
SMILESC=CC(C)(O)/C=C/C(C)CC
InChIInChI=1S/C10H18O/c1-5-9(3)7-8-10(4,11)6-2/h6-9,11H,2,5H2,1,3-4H3/b8-7+
InChIKeyAOCOMIMEKIYJOA-BQYQJAHWSA-N
MW154.25 g/mol
LogP2.53
Rot. Bonds4

About (4E)-3,6-dimethylocta-1,4-dien-3-ol

(4E)-3,6-dimethylocta-1,4-dien-3-ol (PubChem CID 20526736) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (4E)-3,6-dimethylocta-1,4-dien-3-ol.

Molecular Properties

Compound Name(4E)-3,6-dimethylocta-1,4-dien-3-ol
PubChem CID20526736
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(4E)-3,6-dimethylocta-1,4-dien-3-ol
SMILESC=CC(C)(O)/C=C/C(C)CC
InChIInChI=1S/C10H18O/c1-5-9(3)7-8-10(4,11)6-2/h6-9,11H,2,5H2,1,3-4H3/b8-7+
InChIKeyAOCOMIMEKIYJOA-BQYQJAHWSA-N
XLogP2.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E)-3,6-dimethylocta-1,4-dien-3-ol?
The IUPAC name of (4E)-3,6-dimethylocta-1,4-dien-3-ol (CID 20526736) is (4E)-3,6-dimethylocta-1,4-dien-3-ol.
What is the SMILES notation for (4E)-3,6-dimethylocta-1,4-dien-3-ol?
The canonical SMILES for (4E)-3,6-dimethylocta-1,4-dien-3-ol is C=CC(C)(O)/C=C/C(C)CC.
What is the InChIKey of (4E)-3,6-dimethylocta-1,4-dien-3-ol?
The InChIKey is AOCOMIMEKIYJOA-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H18O/c1-5-9(3)7-8-10(4,11)6-2/h6-9,11H,2,5H2,1,3-4H3/b8-7+.
What are the key properties of (4E)-3,6-dimethylocta-1,4-dien-3-ol?
(4E)-3,6-dimethylocta-1,4-dien-3-ol has a molecular weight of 154.25 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-3,6-dimethylocta-1,4-dien-3-ol is sourced from PubChem (CID 20526736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).