(E)-2-amino-8,8,10-trimethyldodec-4-ene-1,3-diol

C15H31NO2 — CID 89051093

IUPAC(E)-2-amino-8,8,10-trimethyldodec-4-ene-1,3-diol
SMILESCCC(C)CC(C)(C)CC/C=C/C(O)C(N)CO
InChIInChI=1S/C15H31NO2/c1-5-12(2)10-15(3,4)9-7-6-8-14(18)13(16)11-17/h6,8,12-14,17-18H,5,7,9-11,16H2,1-4H3/b8-6+
InChIKeyQVVGGMRTUCIRNK-SOFGYWHQSA-N
MW257.42 g/mol
LogP2.47
Rot. Bonds9

About (E)-2-amino-8,8,10-trimethyldodec-4-ene-1,3-diol

(E)-2-amino-8,8,10-trimethyldodec-4-ene-1,3-diol (PubChem CID 89051093) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is (E)-2-amino-8,8,10-trimethyldodec-4-ene-1,3-diol.

Molecular Properties

Compound Name(E)-2-amino-8,8,10-trimethyldodec-4-ene-1,3-diol
PubChem CID89051093
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name(E)-2-amino-8,8,10-trimethyldodec-4-ene-1,3-diol
SMILESCCC(C)CC(C)(C)CC/C=C/C(O)C(N)CO
InChIInChI=1S/C15H31NO2/c1-5-12(2)10-15(3,4)9-7-6-8-14(18)13(16)11-17/h6,8,12-14,17-18H,5,7,9-11,16H2,1-4H3/b8-6+
InChIKeyQVVGGMRTUCIRNK-SOFGYWHQSA-N
XLogP2.47
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-2-amino-8,8,10-trimethyldodec-4-ene-1,3-diol with MolForge

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Related Compounds

(2S,3R,4E,8E,10E)-2-amino-12,14,14-trimethylhexadeca-4,8,10-triene-1,3-diol
CID 129125806
2-aminooct-4-ene-1,3-diol
CID 56625558
(E,2S,3R)-2-aminopentadec-4-ene-1,3-diol
CID 91886102
(2S,3R)-2-aminopentadec-4-ene-1,3-diol
CID 171149174
(E)-2-aminoheptadec-4-ene-1,3-diol
CID 14767873
(E,2S)-2-aminopentadec-4-ene-1,3-diol
CID 91746220
(4E,14Z)-2-aminooctadeca-4,14-diene-1,3-diol
CID 6449795
(2S,3R,4E,14Z)-2-aminooctadeca-4,14-diene-1,3-diol
CID 42608343
(E,2S,3R)-2-amino-15-methylhexadec-4-ene-1,3-diol
CID 42608345
(2S,3R,4E,8E,10E)-2-aminododeca-4,8,10-triene-1,3-diol
CID 129125807
(2R,7S)-5,5,7-trimethylnonan-2-amine
CID 138642965
2,2,4-trimethylhexan-1-ol
CID 14747424

Frequently Asked Questions

What is the IUPAC name of (E)-2-amino-8,8,10-trimethyldodec-4-ene-1,3-diol?
The IUPAC name of (E)-2-amino-8,8,10-trimethyldodec-4-ene-1,3-diol (CID 89051093) is (E)-2-amino-8,8,10-trimethyldodec-4-ene-1,3-diol.
What is the SMILES notation for (E)-2-amino-8,8,10-trimethyldodec-4-ene-1,3-diol?
The canonical SMILES for (E)-2-amino-8,8,10-trimethyldodec-4-ene-1,3-diol is CCC(C)CC(C)(C)CC/C=C/C(O)C(N)CO.
What is the InChIKey of (E)-2-amino-8,8,10-trimethyldodec-4-ene-1,3-diol?
The InChIKey is QVVGGMRTUCIRNK-SOFGYWHQSA-N. The full InChI is InChI=1S/C15H31NO2/c1-5-12(2)10-15(3,4)9-7-6-8-14(18)13(16)11-17/h6,8,12-14,17-18H,5,7,9-11,16H2,1-4H3/b8-6+.
What are the key properties of (E)-2-amino-8,8,10-trimethyldodec-4-ene-1,3-diol?
(E)-2-amino-8,8,10-trimethyldodec-4-ene-1,3-diol has a molecular weight of 257.42 g/mol, XLogP of 2.47, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-amino-8,8,10-trimethyldodec-4-ene-1,3-diol is sourced from PubChem (CID 89051093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).