(Z)-12-aminododec-5-ene-1,3-diol

C12H25NO2 — CID 146253645

IUPAC(Z)-12-aminododec-5-ene-1,3-diol
SMILESNCCCCCC/C=C\CC(O)CCO
InChIInChI=1S/C12H25NO2/c13-10-7-5-3-1-2-4-6-8-12(15)9-11-14/h4,6,12,14-15H,1-3,5,7-11,13H2/b6-4-
InChIKeyGMOBMFQCBWGTCC-XQRVVYSFSA-N
MW215.34 g/mol
LogP1.59
Rot. Bonds10

About (Z)-12-aminododec-5-ene-1,3-diol

(Z)-12-aminododec-5-ene-1,3-diol (PubChem CID 146253645) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is (Z)-12-aminododec-5-ene-1,3-diol.

Molecular Properties

Compound Name(Z)-12-aminododec-5-ene-1,3-diol
PubChem CID146253645
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name(Z)-12-aminododec-5-ene-1,3-diol
SMILESNCCCCCC/C=C\CC(O)CCO
InChIInChI=1S/C12H25NO2/c13-10-7-5-3-1-2-4-6-8-12(15)9-11-14/h4,6,12,14-15H,1-3,5,7-11,13H2/b6-4-
InChIKeyGMOBMFQCBWGTCC-XQRVVYSFSA-N
XLogP1.59
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-12-aminododec-5-ene-1,3-diol?
The IUPAC name of (Z)-12-aminododec-5-ene-1,3-diol (CID 146253645) is (Z)-12-aminododec-5-ene-1,3-diol.
What is the SMILES notation for (Z)-12-aminododec-5-ene-1,3-diol?
The canonical SMILES for (Z)-12-aminododec-5-ene-1,3-diol is NCCCCCC/C=C\CC(O)CCO.
What is the InChIKey of (Z)-12-aminododec-5-ene-1,3-diol?
The InChIKey is GMOBMFQCBWGTCC-XQRVVYSFSA-N. The full InChI is InChI=1S/C12H25NO2/c13-10-7-5-3-1-2-4-6-8-12(15)9-11-14/h4,6,12,14-15H,1-3,5,7-11,13H2/b6-4-.
What are the key properties of (Z)-12-aminododec-5-ene-1,3-diol?
(Z)-12-aminododec-5-ene-1,3-diol has a molecular weight of 215.34 g/mol, XLogP of 1.59, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-12-aminododec-5-ene-1,3-diol is sourced from PubChem (CID 146253645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).