(E)-3,5-dimethyloct-3-en-2-ol

C10H20O — CID 87272540

IUPAC(E)-3,5-dimethyloct-3-en-2-ol
SMILESCCCC(C)/C=C(\C)C(C)O
InChIInChI=1S/C10H20O/c1-5-6-8(2)7-9(3)10(4)11/h7-8,10-11H,5-6H2,1-4H3/b9-7+
InChIKeyGSMMWXNQDOQXPR-VQHVLOKHSA-N
MW156.27 g/mol
LogP2.75
Rot. Bonds4

About (E)-3,5-dimethyloct-3-en-2-ol

(E)-3,5-dimethyloct-3-en-2-ol (PubChem CID 87272540) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is (E)-3,5-dimethyloct-3-en-2-ol.

Molecular Properties

Compound Name(E)-3,5-dimethyloct-3-en-2-ol
PubChem CID87272540
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name(E)-3,5-dimethyloct-3-en-2-ol
SMILESCCCC(C)/C=C(\C)C(C)O
InChIInChI=1S/C10H20O/c1-5-6-8(2)7-9(3)10(4)11/h7-8,10-11H,5-6H2,1-4H3/b9-7+
InChIKeyGSMMWXNQDOQXPR-VQHVLOKHSA-N
XLogP2.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.75
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 (E)-3,5-dimethyloct-3-en-2-ol?
The IUPAC name of (E)-3,5-dimethyloct-3-en-2-ol (CID 87272540) is (E)-3,5-dimethyloct-3-en-2-ol.
What is the SMILES notation for (E)-3,5-dimethyloct-3-en-2-ol?
The canonical SMILES for (E)-3,5-dimethyloct-3-en-2-ol is CCCC(C)/C=C(\C)C(C)O.
What is the InChIKey of (E)-3,5-dimethyloct-3-en-2-ol?
The InChIKey is GSMMWXNQDOQXPR-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H20O/c1-5-6-8(2)7-9(3)10(4)11/h7-8,10-11H,5-6H2,1-4H3/b9-7+.
What are the key properties of (E)-3,5-dimethyloct-3-en-2-ol?
(E)-3,5-dimethyloct-3-en-2-ol has a molecular weight of 156.27 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,5-dimethyloct-3-en-2-ol is sourced from PubChem (CID 87272540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).