(2E,6E)-2,7-dimethylocta-2,6-dien-4-yne-1,8-diol

C10H14O2 — CID 57428251

IUPAC(2E,6E)-2,7-dimethylocta-2,6-dien-4-yne-1,8-diol
SMILESC/C(=C\C#C/C=C(\C)CO)CO
InChIInChI=1S/C10H14O2/c1-9(7-11)5-3-4-6-10(2)8-12/h5-6,11-12H,7-8H2,1-2H3/b9-5+,10-6+
InChIKeyMEAONJBNSODGKA-NXZHAISVSA-N
MW166.22 g/mol
LogP0.87
Rot. Bonds2

About (2E,6E)-2,7-dimethylocta-2,6-dien-4-yne-1,8-diol

(2E,6E)-2,7-dimethylocta-2,6-dien-4-yne-1,8-diol (PubChem CID 57428251) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (2E,6E)-2,7-dimethylocta-2,6-dien-4-yne-1,8-diol.

Molecular Properties

Compound Name(2E,6E)-2,7-dimethylocta-2,6-dien-4-yne-1,8-diol
PubChem CID57428251
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(2E,6E)-2,7-dimethylocta-2,6-dien-4-yne-1,8-diol
SMILESC/C(=C\C#C/C=C(\C)CO)CO
InChIInChI=1S/C10H14O2/c1-9(7-11)5-3-4-6-10(2)8-12/h5-6,11-12H,7-8H2,1-2H3/b9-5+,10-6+
InChIKeyMEAONJBNSODGKA-NXZHAISVSA-N
XLogP0.87
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (2E,6E)-2,7-dimethylocta-2,6-dien-4-yne-1,8-diol with MolForge

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Launch Full Analysis

Related Compounds

2-Methyl-2-buten-1-OL
CID 6433417
2-Penten-4-yn-1-ol, 3-methyl-
CID 61013
1-Pentol
CID 6435822
(Z)-2-Decene-4,6,8-triyn-1-ol
CID 6365178
2-Methylbut-2-en-1-ol, (2Z)-
CID 5366266
2-Methylbut-2-en-1-ol
CID 20799
1-Pentol, (E)-
CID 5367604
(2Z)-2-methylbut-2-ene-1,4-diol
CID 12778451
(2E,8E)-deca-2,8-dien-4,6-diyn-1-ol
CID 6365121
(2E,8E)-deca-2,8-dien-4,6-diyne-1,10-diol
CID 10057822
Deca-2,8-diene-4,6-diyne-1,10-diol
CID 71318082
Deca-2,8-dien-4,6-diyn-1-ol
CID 3013897

Frequently Asked Questions

What is the IUPAC name of (2E,6E)-2,7-dimethylocta-2,6-dien-4-yne-1,8-diol?
The IUPAC name of (2E,6E)-2,7-dimethylocta-2,6-dien-4-yne-1,8-diol (CID 57428251) is (2E,6E)-2,7-dimethylocta-2,6-dien-4-yne-1,8-diol.
What is the SMILES notation for (2E,6E)-2,7-dimethylocta-2,6-dien-4-yne-1,8-diol?
The canonical SMILES for (2E,6E)-2,7-dimethylocta-2,6-dien-4-yne-1,8-diol is C/C(=C\C#C/C=C(\C)CO)CO.
What is the InChIKey of (2E,6E)-2,7-dimethylocta-2,6-dien-4-yne-1,8-diol?
The InChIKey is MEAONJBNSODGKA-NXZHAISVSA-N. The full InChI is InChI=1S/C10H14O2/c1-9(7-11)5-3-4-6-10(2)8-12/h5-6,11-12H,7-8H2,1-2H3/b9-5+,10-6+.
What are the key properties of (2E,6E)-2,7-dimethylocta-2,6-dien-4-yne-1,8-diol?
(2E,6E)-2,7-dimethylocta-2,6-dien-4-yne-1,8-diol has a molecular weight of 166.22 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-2,7-dimethylocta-2,6-dien-4-yne-1,8-diol is sourced from PubChem (CID 57428251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).