2-amino-3,7-dimethyloct-6-ene-1,3-diol

C10H21NO2 — CID 19928723

IUPAC2-amino-3,7-dimethyloct-6-ene-1,3-diol
SMILESCC(C)=CCCC(C)(O)C(N)CO
InChIInChI=1S/C10H21NO2/c1-8(2)5-4-6-10(3,13)9(11)7-12/h5,9,12-13H,4,6-7,11H2,1-3H3
InChIKeyMYZAIZLYFVZBRQ-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.80
Rot. Bonds5

About 2-amino-3,7-dimethyloct-6-ene-1,3-diol

2-amino-3,7-dimethyloct-6-ene-1,3-diol (PubChem CID 19928723) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 2-amino-3,7-dimethyloct-6-ene-1,3-diol.

Molecular Properties

Compound Name2-amino-3,7-dimethyloct-6-ene-1,3-diol
PubChem CID19928723
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name2-amino-3,7-dimethyloct-6-ene-1,3-diol
SMILESCC(C)=CCCC(C)(O)C(N)CO
InChIInChI=1S/C10H21NO2/c1-8(2)5-4-6-10(3,13)9(11)7-12/h5,9,12-13H,4,6-7,11H2,1-3H3
InChIKeyMYZAIZLYFVZBRQ-UHFFFAOYSA-N
XLogP0.80
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.80
H-Bond Donors ≤ 53
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-amino-3,7-dimethyloct-6-ene-1,3-diol?
The IUPAC name of 2-amino-3,7-dimethyloct-6-ene-1,3-diol (CID 19928723) is 2-amino-3,7-dimethyloct-6-ene-1,3-diol.
What is the SMILES notation for 2-amino-3,7-dimethyloct-6-ene-1,3-diol?
The canonical SMILES for 2-amino-3,7-dimethyloct-6-ene-1,3-diol is CC(C)=CCCC(C)(O)C(N)CO.
What is the InChIKey of 2-amino-3,7-dimethyloct-6-ene-1,3-diol?
The InChIKey is MYZAIZLYFVZBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-8(2)5-4-6-10(3,13)9(11)7-12/h5,9,12-13H,4,6-7,11H2,1-3H3.
What are the key properties of 2-amino-3,7-dimethyloct-6-ene-1,3-diol?
2-amino-3,7-dimethyloct-6-ene-1,3-diol has a molecular weight of 187.28 g/mol, XLogP of 0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,7-dimethyloct-6-ene-1,3-diol is sourced from PubChem (CID 19928723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).