(E)-2-amino-6,6,8,8-tetramethylnon-4-ene-1,3-diol

C13H27NO2 — CID 166950772

IUPAC(E)-2-amino-6,6,8,8-tetramethylnon-4-ene-1,3-diol
SMILESCC(C)(C)CC(C)(C)/C=C/C(O)C(N)CO
InChIInChI=1S/C13H27NO2/c1-12(2,3)9-13(4,5)7-6-11(16)10(14)8-15/h6-7,10-11,15-16H,8-9,14H2,1-5H3/b7-6+
InChIKeyVWIAQZMFZNFNHV-VOTSOKGWSA-N
MW229.36 g/mol
LogP1.69
Rot. Bonds5

About (E)-2-amino-6,6,8,8-tetramethylnon-4-ene-1,3-diol

(E)-2-amino-6,6,8,8-tetramethylnon-4-ene-1,3-diol (PubChem CID 166950772) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is (E)-2-amino-6,6,8,8-tetramethylnon-4-ene-1,3-diol.

Molecular Properties

Compound Name(E)-2-amino-6,6,8,8-tetramethylnon-4-ene-1,3-diol
PubChem CID166950772
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name(E)-2-amino-6,6,8,8-tetramethylnon-4-ene-1,3-diol
SMILESCC(C)(C)CC(C)(C)/C=C/C(O)C(N)CO
InChIInChI=1S/C13H27NO2/c1-12(2,3)9-13(4,5)7-6-11(16)10(14)8-15/h6-7,10-11,15-16H,8-9,14H2,1-5H3/b7-6+
InChIKeyVWIAQZMFZNFNHV-VOTSOKGWSA-N
XLogP1.69
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2,4,4,7,7,9,9-octamethyldec-5-ene
CID 90796396
2-aminooct-4-ene-1,3-diol
CID 56625558
(E)-2-amino-8,8,10-trimethyldodec-4-ene-1,3-diol
CID 89051093
(E)-2-aminoheptadec-4-ene-1,3-diol
CID 14767873
(2S,3R,4E,8E,10E)-2-aminododeca-4,8,10-triene-1,3-diol
CID 129125807
(E,2S,3R,6S)-2-aminooctadec-4-ene-1,3,6-triol
CID 11449891
(E,2S,3R)-2-aminooctadec-4-ene-1,3,6-triol
CID 12991068
(2S,3R)-2-aminopentadec-4-ene-1,3-diol
CID 171149174
(E,2S,3R)-2-aminopentadec-4-ene-1,3-diol
CID 91886102
(E,2S)-2-aminopentadec-4-ene-1,3-diol
CID 91746220
(E)-4,4,6,6-tetramethylhept-2-ene
CID 20870209
(4E,14Z)-2-aminooctadeca-4,14-diene-1,3-diol
CID 6449795

Frequently Asked Questions

What is the IUPAC name of (E)-2-amino-6,6,8,8-tetramethylnon-4-ene-1,3-diol?
The IUPAC name of (E)-2-amino-6,6,8,8-tetramethylnon-4-ene-1,3-diol (CID 166950772) is (E)-2-amino-6,6,8,8-tetramethylnon-4-ene-1,3-diol.
What is the SMILES notation for (E)-2-amino-6,6,8,8-tetramethylnon-4-ene-1,3-diol?
The canonical SMILES for (E)-2-amino-6,6,8,8-tetramethylnon-4-ene-1,3-diol is CC(C)(C)CC(C)(C)/C=C/C(O)C(N)CO.
What is the InChIKey of (E)-2-amino-6,6,8,8-tetramethylnon-4-ene-1,3-diol?
The InChIKey is VWIAQZMFZNFNHV-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H27NO2/c1-12(2,3)9-13(4,5)7-6-11(16)10(14)8-15/h6-7,10-11,15-16H,8-9,14H2,1-5H3/b7-6+.
What are the key properties of (E)-2-amino-6,6,8,8-tetramethylnon-4-ene-1,3-diol?
(E)-2-amino-6,6,8,8-tetramethylnon-4-ene-1,3-diol has a molecular weight of 229.36 g/mol, XLogP of 1.69, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-amino-6,6,8,8-tetramethylnon-4-ene-1,3-diol is sourced from PubChem (CID 166950772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).