(2E,5E)-3,7-dimethylocta-2,5-dien-1-ol

C10H18O — CID 152758183

IUPAC(2E,5E)-3,7-dimethylocta-2,5-dien-1-ol
SMILESC/C(=C\CO)C/C=C/C(C)C
InChIInChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h4-5,7,9,11H,6,8H2,1-3H3/b5-4+,10-7+
InChIKeyGBVSQUDAUHHXET-YIORLJKJSA-N
MW154.25 g/mol
LogP2.53
Rot. Bonds4

About (2E,5E)-3,7-dimethylocta-2,5-dien-1-ol

(2E,5E)-3,7-dimethylocta-2,5-dien-1-ol (PubChem CID 152758183) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (2E,5E)-3,7-dimethylocta-2,5-dien-1-ol.

Molecular Properties

Compound Name(2E,5E)-3,7-dimethylocta-2,5-dien-1-ol
PubChem CID152758183
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(2E,5E)-3,7-dimethylocta-2,5-dien-1-ol
SMILESC/C(=C\CO)C/C=C/C(C)C
InChIInChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h4-5,7,9,11H,6,8H2,1-3H3/b5-4+,10-7+
InChIKeyGBVSQUDAUHHXET-YIORLJKJSA-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 (2E,5E)-3,7-dimethylocta-2,5-dien-1-ol?
The IUPAC name of (2E,5E)-3,7-dimethylocta-2,5-dien-1-ol (CID 152758183) is (2E,5E)-3,7-dimethylocta-2,5-dien-1-ol.
What is the SMILES notation for (2E,5E)-3,7-dimethylocta-2,5-dien-1-ol?
The canonical SMILES for (2E,5E)-3,7-dimethylocta-2,5-dien-1-ol is C/C(=C\CO)C/C=C/C(C)C.
What is the InChIKey of (2E,5E)-3,7-dimethylocta-2,5-dien-1-ol?
The InChIKey is GBVSQUDAUHHXET-YIORLJKJSA-N. The full InChI is InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h4-5,7,9,11H,6,8H2,1-3H3/b5-4+,10-7+.
What are the key properties of (2E,5E)-3,7-dimethylocta-2,5-dien-1-ol?
(2E,5E)-3,7-dimethylocta-2,5-dien-1-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 (2E,5E)-3,7-dimethylocta-2,5-dien-1-ol is sourced from PubChem (CID 152758183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).