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

C10H20O4 — CID 54295254

IUPAC3,4-bis(2-hydroxyethyl)hex-3-ene-1,6-diol
SMILESOCCC(CCO)=C(CCO)CCO
InChIInChI=1S/C10H20O4/c11-5-1-9(2-6-12)10(3-7-13)4-8-14/h11-14H,1-8H2
InChIKeySAIVLLBTDLSUKA-UHFFFAOYSA-N
MW204.27 g/mol
LogP-0.19
Rot. Bonds8

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

3,4-bis(2-hydroxyethyl)hex-3-ene-1,6-diol (PubChem CID 54295254) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is 3,4-bis(2-hydroxyethyl)hex-3-ene-1,6-diol.

Molecular Properties

Compound Name3,4-bis(2-hydroxyethyl)hex-3-ene-1,6-diol
PubChem CID54295254
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name3,4-bis(2-hydroxyethyl)hex-3-ene-1,6-diol
SMILESOCCC(CCO)=C(CCO)CCO
InChIInChI=1S/C10H20O4/c11-5-1-9(2-6-12)10(3-7-13)4-8-14/h11-14H,1-8H2
InChIKeySAIVLLBTDLSUKA-UHFFFAOYSA-N
XLogP-0.19
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 5-0.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 3,4-bis(2-hydroxyethyl)hex-3-ene-1,6-diol?
The IUPAC name of 3,4-bis(2-hydroxyethyl)hex-3-ene-1,6-diol (CID 54295254) is 3,4-bis(2-hydroxyethyl)hex-3-ene-1,6-diol.
What is the SMILES notation for 3,4-bis(2-hydroxyethyl)hex-3-ene-1,6-diol?
The canonical SMILES for 3,4-bis(2-hydroxyethyl)hex-3-ene-1,6-diol is OCCC(CCO)=C(CCO)CCO.
What is the InChIKey of 3,4-bis(2-hydroxyethyl)hex-3-ene-1,6-diol?
The InChIKey is SAIVLLBTDLSUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4/c11-5-1-9(2-6-12)10(3-7-13)4-8-14/h11-14H,1-8H2.
What are the key properties of 3,4-bis(2-hydroxyethyl)hex-3-ene-1,6-diol?
3,4-bis(2-hydroxyethyl)hex-3-ene-1,6-diol has a molecular weight of 204.27 g/mol, XLogP of -0.19, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(2-hydroxyethyl)hex-3-ene-1,6-diol is sourced from PubChem (CID 54295254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).