azane;3,4-bis(2-hydroxyethyl)hex-3-ene-1,6-diol

C10H26N2O4 — CID 87831314

IUPACazane;3,4-bis(2-hydroxyethyl)hex-3-ene-1,6-diol
SMILESN.N.OCCC(CCO)=C(CCO)CCO
InChIInChI=1S/C10H20O4.2H3N/c11-5-1-9(2-6-12)10(3-7-13)4-8-14;;/h11-14H,1-8H2;2*1H3
InChIKeyNTGGJKQSHQIYSA-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.14
Rot. Bonds8

About azane;3,4-bis(2-hydroxyethyl)hex-3-ene-1,6-diol

azane;3,4-bis(2-hydroxyethyl)hex-3-ene-1,6-diol (PubChem CID 87831314) has the molecular formula C10H26N2O4 and a molecular weight of 238.33 g/mol. Its IUPAC name is azane;3,4-bis(2-hydroxyethyl)hex-3-ene-1,6-diol.

Molecular Properties

Compound Nameazane;3,4-bis(2-hydroxyethyl)hex-3-ene-1,6-diol
PubChem CID87831314
Molecular FormulaC10H26N2O4
Molecular Weight238.33 g/mol
Exact Mass238.19
IUPAC Nameazane;3,4-bis(2-hydroxyethyl)hex-3-ene-1,6-diol
SMILESN.N.OCCC(CCO)=C(CCO)CCO
InChIInChI=1S/C10H20O4.2H3N/c11-5-1-9(2-6-12)10(3-7-13)4-8-14;;/h11-14H,1-8H2;2*1H3
InChIKeyNTGGJKQSHQIYSA-UHFFFAOYSA-N
XLogP0.14
TPSA150.92 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.33
LogP ≤ 50.14
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3,4-Bis(2-hydroxyethyl)hex-3-ene-1,6-diol
CID 54295254
3-(2-Hydroxyethyl)-4-methylhex-3-ene-1,6-diol
CID 57104300

Frequently Asked Questions

What is the IUPAC name of azane;3,4-bis(2-hydroxyethyl)hex-3-ene-1,6-diol?
The IUPAC name of azane;3,4-bis(2-hydroxyethyl)hex-3-ene-1,6-diol (CID 87831314) is azane;3,4-bis(2-hydroxyethyl)hex-3-ene-1,6-diol.
What is the SMILES notation for azane;3,4-bis(2-hydroxyethyl)hex-3-ene-1,6-diol?
The canonical SMILES for azane;3,4-bis(2-hydroxyethyl)hex-3-ene-1,6-diol is N.N.OCCC(CCO)=C(CCO)CCO.
What is the InChIKey of azane;3,4-bis(2-hydroxyethyl)hex-3-ene-1,6-diol?
The InChIKey is NTGGJKQSHQIYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4.2H3N/c11-5-1-9(2-6-12)10(3-7-13)4-8-14;;/h11-14H,1-8H2;2*1H3.
What are the key properties of azane;3,4-bis(2-hydroxyethyl)hex-3-ene-1,6-diol?
azane;3,4-bis(2-hydroxyethyl)hex-3-ene-1,6-diol has a molecular weight of 238.33 g/mol, XLogP of 0.14, 8 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3,4-bis(2-hydroxyethyl)hex-3-ene-1,6-diol is sourced from PubChem (CID 87831314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).