2-(dimethylamino)-3,7-dimethyloct-6-ene-1,3-diol

C12H25NO2 — CID 19928730

IUPAC2-(dimethylamino)-3,7-dimethyloct-6-ene-1,3-diol
SMILESCC(C)=CCCC(C)(O)C(CO)N(C)C
InChIInChI=1S/C12H25NO2/c1-10(2)7-6-8-12(3,15)11(9-14)13(4)5/h7,11,14-15H,6,8-9H2,1-5H3
InChIKeyITFVDZIFSQYQKW-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.41
Rot. Bonds6

About 2-(dimethylamino)-3,7-dimethyloct-6-ene-1,3-diol

2-(dimethylamino)-3,7-dimethyloct-6-ene-1,3-diol (PubChem CID 19928730) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-(dimethylamino)-3,7-dimethyloct-6-ene-1,3-diol.

Molecular Properties

Compound Name2-(dimethylamino)-3,7-dimethyloct-6-ene-1,3-diol
PubChem CID19928730
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-(dimethylamino)-3,7-dimethyloct-6-ene-1,3-diol
SMILESCC(C)=CCCC(C)(O)C(CO)N(C)C
InChIInChI=1S/C12H25NO2/c1-10(2)7-6-8-12(3,15)11(9-14)13(4)5/h7,11,14-15H,6,8-9H2,1-5H3
InChIKeyITFVDZIFSQYQKW-UHFFFAOYSA-N
XLogP1.41
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-(dimethylamino)-3,7-dimethyloct-6-ene-1,3-diol?
The IUPAC name of 2-(dimethylamino)-3,7-dimethyloct-6-ene-1,3-diol (CID 19928730) is 2-(dimethylamino)-3,7-dimethyloct-6-ene-1,3-diol.
What is the SMILES notation for 2-(dimethylamino)-3,7-dimethyloct-6-ene-1,3-diol?
The canonical SMILES for 2-(dimethylamino)-3,7-dimethyloct-6-ene-1,3-diol is CC(C)=CCCC(C)(O)C(CO)N(C)C.
What is the InChIKey of 2-(dimethylamino)-3,7-dimethyloct-6-ene-1,3-diol?
The InChIKey is ITFVDZIFSQYQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-10(2)7-6-8-12(3,15)11(9-14)13(4)5/h7,11,14-15H,6,8-9H2,1-5H3.
What are the key properties of 2-(dimethylamino)-3,7-dimethyloct-6-ene-1,3-diol?
2-(dimethylamino)-3,7-dimethyloct-6-ene-1,3-diol has a molecular weight of 215.34 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-3,7-dimethyloct-6-ene-1,3-diol is sourced from PubChem (CID 19928730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).