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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Related Compounds

CID 19928723
CID 19928723
CID 13933152
CID 13933152
CID 13933155
CID 13933155
CID 13933160
CID 13933160
CID 17884883
CID 17884883
CID 19880290
CID 19880290
CID 19928726
CID 19928726
CID 19928727
CID 19928727
CID 19928738
CID 19928738
CID 19928740
CID 19928740
CID 19928742
CID 19928742
CID 24840714
CID 24840714

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).