(1Z,5Z)-1,6-diethoxyhexa-1,5-diene-1,6-diol

C10H18O4 — CID 50897516

IUPAC(1Z,5Z)-1,6-diethoxyhexa-1,5-diene-1,6-diol
SMILESCCO/C(O)=C\CC/C=C(/O)OCC
InChIInChI=1S/C10H18O4/c1-3-13-9(11)7-5-6-8-10(12)14-4-2/h7-8,11-12H,3-6H2,1-2H3/b9-7-,10-8-
InChIKeyGICZHJVPKSTMOJ-XOHWUJONSA-N
MW202.25 g/mol
LogP2.64
Rot. Bonds7

About (1Z,5Z)-1,6-diethoxyhexa-1,5-diene-1,6-diol

(1Z,5Z)-1,6-diethoxyhexa-1,5-diene-1,6-diol (PubChem CID 50897516) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is (1Z,5Z)-1,6-diethoxyhexa-1,5-diene-1,6-diol.

Molecular Properties

Compound Name(1Z,5Z)-1,6-diethoxyhexa-1,5-diene-1,6-diol
PubChem CID50897516
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name(1Z,5Z)-1,6-diethoxyhexa-1,5-diene-1,6-diol
SMILESCCO/C(O)=C\CC/C=C(/O)OCC
InChIInChI=1S/C10H18O4/c1-3-13-9(11)7-5-6-8-10(12)14-4-2/h7-8,11-12H,3-6H2,1-2H3/b9-7-,10-8-
InChIKeyGICZHJVPKSTMOJ-XOHWUJONSA-N
XLogP2.64
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2-ethoxy-2-hydroxyethenyl)-dimethylsulfanium
CID 76822814
(Z)-1-ethoxy-2-(methylideneamino)ethenol
CID 20753163
1-ethoxypent-1-ene-1,3-diol
CID 162291132
ethyl hydrogen carbonate;sulfane
CID 174718172
1-ethoxy-2-nitroethenol
CID 58981274
1-ethoxy-2-(15N)isothiocyanatoethenol
CID 15966879
2-diethoxyphosphoryl-1-ethoxyethenol
CID 15972171
copper(1+);1-ethoxyethenolate
CID 73187688
1-prop-2-enoxybut-1-en-1-ol
CID 76598175
3,4-diethoxyhexa-2,4-diene
CID 141009141
CID 87309385
CID 87309385
(1E,3Z)-4-diethoxyphosphoryl-1-ethoxybuta-1,3-diene-1,3-diol
CID 134871026

Frequently Asked Questions

What is the IUPAC name of (1Z,5Z)-1,6-diethoxyhexa-1,5-diene-1,6-diol?
The IUPAC name of (1Z,5Z)-1,6-diethoxyhexa-1,5-diene-1,6-diol (CID 50897516) is (1Z,5Z)-1,6-diethoxyhexa-1,5-diene-1,6-diol.
What is the SMILES notation for (1Z,5Z)-1,6-diethoxyhexa-1,5-diene-1,6-diol?
The canonical SMILES for (1Z,5Z)-1,6-diethoxyhexa-1,5-diene-1,6-diol is CCO/C(O)=C\CC/C=C(/O)OCC.
What is the InChIKey of (1Z,5Z)-1,6-diethoxyhexa-1,5-diene-1,6-diol?
The InChIKey is GICZHJVPKSTMOJ-XOHWUJONSA-N. The full InChI is InChI=1S/C10H18O4/c1-3-13-9(11)7-5-6-8-10(12)14-4-2/h7-8,11-12H,3-6H2,1-2H3/b9-7-,10-8-.
What are the key properties of (1Z,5Z)-1,6-diethoxyhexa-1,5-diene-1,6-diol?
(1Z,5Z)-1,6-diethoxyhexa-1,5-diene-1,6-diol has a molecular weight of 202.25 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,5Z)-1,6-diethoxyhexa-1,5-diene-1,6-diol is sourced from PubChem (CID 50897516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).