(E)-2-ethylhex-1-ene-1,3-diol

C8H16O2 — CID 19795304

IUPAC(E)-2-ethylhex-1-ene-1,3-diol
SMILESCCCC(O)/C(=C/O)CC
InChIInChI=1S/C8H16O2/c1-3-5-8(10)7(4-2)6-9/h6,8-10H,3-5H2,1-2H3/b7-6+
InChIKeyLWOFXGFDOZYYEO-VOTSOKGWSA-N
MW144.21 g/mol
LogP2.00
Rot. Bonds4

About (E)-2-ethylhex-1-ene-1,3-diol

(E)-2-ethylhex-1-ene-1,3-diol (PubChem CID 19795304) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is (E)-2-ethylhex-1-ene-1,3-diol.

Molecular Properties

Compound Name(E)-2-ethylhex-1-ene-1,3-diol
PubChem CID19795304
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name(E)-2-ethylhex-1-ene-1,3-diol
SMILESCCCC(O)/C(=C/O)CC
InChIInChI=1S/C8H16O2/c1-3-5-8(10)7(4-2)6-9/h6,8-10H,3-5H2,1-2H3/b7-6+
InChIKeyLWOFXGFDOZYYEO-VOTSOKGWSA-N
XLogP2.00
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-ethylhex-1-ene-1,3-diol?
The IUPAC name of (E)-2-ethylhex-1-ene-1,3-diol (CID 19795304) is (E)-2-ethylhex-1-ene-1,3-diol.
What is the SMILES notation for (E)-2-ethylhex-1-ene-1,3-diol?
The canonical SMILES for (E)-2-ethylhex-1-ene-1,3-diol is CCCC(O)/C(=C/O)CC.
What is the InChIKey of (E)-2-ethylhex-1-ene-1,3-diol?
The InChIKey is LWOFXGFDOZYYEO-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H16O2/c1-3-5-8(10)7(4-2)6-9/h6,8-10H,3-5H2,1-2H3/b7-6+.
What are the key properties of (E)-2-ethylhex-1-ene-1,3-diol?
(E)-2-ethylhex-1-ene-1,3-diol has a molecular weight of 144.21 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethylhex-1-ene-1,3-diol is sourced from PubChem (CID 19795304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).