(E)-2,7-dimethyloct-4-ene-2,7-diol

C10H20O2 — CID 6536882

IUPAC(E)-2,7-dimethyloct-4-ene-2,7-diol
SMILESCC(C)(O)C/C=C/CC(C)(C)O
InChIInChI=1S/C10H20O2/c1-9(2,11)7-5-6-8-10(3,4)12/h5-6,11-12H,7-8H2,1-4H3/b6-5+
InChIKeyLQBJEGDVJSXOJN-AATRIKPKSA-N
MW172.27 g/mol
LogP1.86
Rot. Bonds4

About (E)-2,7-dimethyloct-4-ene-2,7-diol

(E)-2,7-dimethyloct-4-ene-2,7-diol (PubChem CID 6536882) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (E)-2,7-dimethyloct-4-ene-2,7-diol.

Molecular Properties

Compound Name(E)-2,7-dimethyloct-4-ene-2,7-diol
PubChem CID6536882
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(E)-2,7-dimethyloct-4-ene-2,7-diol
SMILESCC(C)(O)C/C=C/CC(C)(C)O
InChIInChI=1S/C10H20O2/c1-9(2,11)7-5-6-8-10(3,4)12/h5-6,11-12H,7-8H2,1-4H3/b6-5+
InChIKeyLQBJEGDVJSXOJN-AATRIKPKSA-N
XLogP1.86
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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)-2,7-dimethyloct-4-ene-2,7-diol?
The IUPAC name of (E)-2,7-dimethyloct-4-ene-2,7-diol (CID 6536882) is (E)-2,7-dimethyloct-4-ene-2,7-diol.
What is the SMILES notation for (E)-2,7-dimethyloct-4-ene-2,7-diol?
The canonical SMILES for (E)-2,7-dimethyloct-4-ene-2,7-diol is CC(C)(O)C/C=C/CC(C)(C)O.
What is the InChIKey of (E)-2,7-dimethyloct-4-ene-2,7-diol?
The InChIKey is LQBJEGDVJSXOJN-AATRIKPKSA-N. The full InChI is InChI=1S/C10H20O2/c1-9(2,11)7-5-6-8-10(3,4)12/h5-6,11-12H,7-8H2,1-4H3/b6-5+.
What are the key properties of (E)-2,7-dimethyloct-4-ene-2,7-diol?
(E)-2,7-dimethyloct-4-ene-2,7-diol has a molecular weight of 172.27 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,7-dimethyloct-4-ene-2,7-diol is sourced from PubChem (CID 6536882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).