(E)-4,6-dimethyloct-4-en-3-ol

C10H20O — CID 87161610

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

About (E)-4,6-dimethyloct-4-en-3-ol

(E)-4,6-dimethyloct-4-en-3-ol (PubChem CID 87161610) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is (E)-4,6-dimethyloct-4-en-3-ol.

Molecular Properties

Compound Name(E)-4,6-dimethyloct-4-en-3-ol
PubChem CID87161610
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name(E)-4,6-dimethyloct-4-en-3-ol
SMILESCCC(C)/C=C(\C)C(O)CC
InChIInChI=1S/C10H20O/c1-5-8(3)7-9(4)10(11)6-2/h7-8,10-11H,5-6H2,1-4H3/b9-7+
InChIKeyMDYCHVGMFJCKQR-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)-4,6-dimethyloct-4-en-3-ol?
The IUPAC name of (E)-4,6-dimethyloct-4-en-3-ol (CID 87161610) is (E)-4,6-dimethyloct-4-en-3-ol.
What is the SMILES notation for (E)-4,6-dimethyloct-4-en-3-ol?
The canonical SMILES for (E)-4,6-dimethyloct-4-en-3-ol is CCC(C)/C=C(\C)C(O)CC.
What is the InChIKey of (E)-4,6-dimethyloct-4-en-3-ol?
The InChIKey is MDYCHVGMFJCKQR-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H20O/c1-5-8(3)7-9(4)10(11)6-2/h7-8,10-11H,5-6H2,1-4H3/b9-7+.
What are the key properties of (E)-4,6-dimethyloct-4-en-3-ol?
(E)-4,6-dimethyloct-4-en-3-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)-4,6-dimethyloct-4-en-3-ol is sourced from PubChem (CID 87161610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).