(4E)-3,7-dimethylocta-4,6-dien-3-ol

C10H18O — CID 6537988

IUPAC(4E)-3,7-dimethylocta-4,6-dien-3-ol
SMILESCCC(C)(O)/C=C/C=C(C)C
InChIInChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h6-8,11H,5H2,1-4H3/b8-6+
InChIKeyQLRNLHNEZFMRSR-SOFGYWHQSA-N
MW154.25 g/mol
LogP2.67
Rot. Bonds3

About (4E)-3,7-dimethylocta-4,6-dien-3-ol

(4E)-3,7-dimethylocta-4,6-dien-3-ol (PubChem CID 6537988) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (4E)-3,7-dimethylocta-4,6-dien-3-ol.

Molecular Properties

Compound Name(4E)-3,7-dimethylocta-4,6-dien-3-ol
PubChem CID6537988
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(4E)-3,7-dimethylocta-4,6-dien-3-ol
SMILESCCC(C)(O)/C=C/C=C(C)C
InChIInChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h6-8,11H,5H2,1-4H3/b8-6+
InChIKeyQLRNLHNEZFMRSR-SOFGYWHQSA-N
XLogP2.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.67
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 (4E)-3,7-dimethylocta-4,6-dien-3-ol?
The IUPAC name of (4E)-3,7-dimethylocta-4,6-dien-3-ol (CID 6537988) is (4E)-3,7-dimethylocta-4,6-dien-3-ol.
What is the SMILES notation for (4E)-3,7-dimethylocta-4,6-dien-3-ol?
The canonical SMILES for (4E)-3,7-dimethylocta-4,6-dien-3-ol is CCC(C)(O)/C=C/C=C(C)C.
What is the InChIKey of (4E)-3,7-dimethylocta-4,6-dien-3-ol?
The InChIKey is QLRNLHNEZFMRSR-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h6-8,11H,5H2,1-4H3/b8-6+.
What are the key properties of (4E)-3,7-dimethylocta-4,6-dien-3-ol?
(4E)-3,7-dimethylocta-4,6-dien-3-ol has a molecular weight of 154.25 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-3,7-dimethylocta-4,6-dien-3-ol is sourced from PubChem (CID 6537988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).