(E)-2-propylbut-2-ene-1,4-diol

C7H14O2 — CID 13265476

IUPAC(E)-2-propylbut-2-ene-1,4-diol
SMILESCCC/C(=C\CO)CO
InChIInChI=1S/C7H14O2/c1-2-3-7(6-9)4-5-8/h4,8-9H,2-3,5-6H2,1H3/b7-4+
InChIKeyTZKYEPAGFMYZGA-QPJJXVBHSA-N
MW130.19 g/mol
LogP0.70
Rot. Bonds4

About (E)-2-propylbut-2-ene-1,4-diol

(E)-2-propylbut-2-ene-1,4-diol (PubChem CID 13265476) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is (E)-2-propylbut-2-ene-1,4-diol.

Molecular Properties

Compound Name(E)-2-propylbut-2-ene-1,4-diol
PubChem CID13265476
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name(E)-2-propylbut-2-ene-1,4-diol
SMILESCCC/C(=C\CO)CO
InChIInChI=1S/C7H14O2/c1-2-3-7(6-9)4-5-8/h4,8-9H,2-3,5-6H2,1H3/b7-4+
InChIKeyTZKYEPAGFMYZGA-QPJJXVBHSA-N
XLogP0.70
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(hydroxymethyl)pent-2-ene-1,5-diol
CID 54163262
(2E)-2-(methylaminomethylidene)pentan-1-ol
CID 170108707
3-(hydroxymethyl)-7-methyloct-2-ene-1,7-diol
CID 173441654
(E)-3-ethyloct-2-en-1-ol
CID 13383767
actinium;bis(3-methylhex-2-en-1-ol)
CID 160943648
3-(2,2-diphenylethyl)hex-2-en-1-ol
CID 174745025
acetic acid;7-methyl-3-propylnona-2,6-dien-1-ol
CID 71344532
(E)-3-ethyldec-2-en-1-ol
CID 118599698
(E)-2-pentylnon-2-en-1-ol
CID 87912407
8-bromo-3-(hydroxymethyl)-7-methyloct-2-ene-1,7-diol
CID 173443603
3-ethyloct-2-en-1-ol;formic acid
CID 71407316
2-prop-2-enylbut-2-ene-1,4-diol
CID 88717764

Frequently Asked Questions

What is the IUPAC name of (E)-2-propylbut-2-ene-1,4-diol?
The IUPAC name of (E)-2-propylbut-2-ene-1,4-diol (CID 13265476) is (E)-2-propylbut-2-ene-1,4-diol.
What is the SMILES notation for (E)-2-propylbut-2-ene-1,4-diol?
The canonical SMILES for (E)-2-propylbut-2-ene-1,4-diol is CCC/C(=C\CO)CO.
What is the InChIKey of (E)-2-propylbut-2-ene-1,4-diol?
The InChIKey is TZKYEPAGFMYZGA-QPJJXVBHSA-N. The full InChI is InChI=1S/C7H14O2/c1-2-3-7(6-9)4-5-8/h4,8-9H,2-3,5-6H2,1H3/b7-4+.
What are the key properties of (E)-2-propylbut-2-ene-1,4-diol?
(E)-2-propylbut-2-ene-1,4-diol has a molecular weight of 130.19 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-propylbut-2-ene-1,4-diol is sourced from PubChem (CID 13265476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).