(E,7R)-8-amino-4,5,7-trimethyloct-5-en-2-ol

C11H23NO — CID 174340695

IUPAC(E,7R)-8-amino-4,5,7-trimethyloct-5-en-2-ol
SMILESC/C(=C\[C@@H](C)CN)C(C)CC(C)O
InChIInChI=1S/C11H23NO/c1-8(7-12)5-9(2)10(3)6-11(4)13/h5,8,10-11,13H,6-7,12H2,1-4H3/b9-5+/t8-,10?,11?/m1/s1
InChIKeyNWQFGBSTOVGDNG-RGILLITESA-N
MW185.31 g/mol
LogP1.93
Rot. Bonds5

About (E,7R)-8-amino-4,5,7-trimethyloct-5-en-2-ol

(E,7R)-8-amino-4,5,7-trimethyloct-5-en-2-ol (PubChem CID 174340695) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (E,7R)-8-amino-4,5,7-trimethyloct-5-en-2-ol.

Molecular Properties

Compound Name(E,7R)-8-amino-4,5,7-trimethyloct-5-en-2-ol
PubChem CID174340695
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(E,7R)-8-amino-4,5,7-trimethyloct-5-en-2-ol
SMILESC/C(=C\[C@@H](C)CN)C(C)CC(C)O
InChIInChI=1S/C11H23NO/c1-8(7-12)5-9(2)10(3)6-11(4)13/h5,8,10-11,13H,6-7,12H2,1-4H3/b9-5+/t8-,10?,11?/m1/s1
InChIKeyNWQFGBSTOVGDNG-RGILLITESA-N
XLogP1.93
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.93
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,7R)-8-amino-4,5,7-trimethyloct-5-en-2-ol?
The IUPAC name of (E,7R)-8-amino-4,5,7-trimethyloct-5-en-2-ol (CID 174340695) is (E,7R)-8-amino-4,5,7-trimethyloct-5-en-2-ol.
What is the SMILES notation for (E,7R)-8-amino-4,5,7-trimethyloct-5-en-2-ol?
The canonical SMILES for (E,7R)-8-amino-4,5,7-trimethyloct-5-en-2-ol is C/C(=C\[C@@H](C)CN)C(C)CC(C)O.
What is the InChIKey of (E,7R)-8-amino-4,5,7-trimethyloct-5-en-2-ol?
The InChIKey is NWQFGBSTOVGDNG-RGILLITESA-N. The full InChI is InChI=1S/C11H23NO/c1-8(7-12)5-9(2)10(3)6-11(4)13/h5,8,10-11,13H,6-7,12H2,1-4H3/b9-5+/t8-,10?,11?/m1/s1.
What are the key properties of (E,7R)-8-amino-4,5,7-trimethyloct-5-en-2-ol?
(E,7R)-8-amino-4,5,7-trimethyloct-5-en-2-ol has a molecular weight of 185.31 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,7R)-8-amino-4,5,7-trimethyloct-5-en-2-ol is sourced from PubChem (CID 174340695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).