2-(3-methylbuta-1,3-dien-2-yloxy)prop-2-en-1-ol

C8H12O2 — CID 123219588

IUPAC2-(3-methylbuta-1,3-dien-2-yloxy)prop-2-en-1-ol
SMILESC=C(CO)OC(=C)C(=C)C
InChIInChI=1S/C8H12O2/c1-6(2)8(4)10-7(3)5-9/h9H,1,3-5H2,2H3
InChIKeyZGPUTOYRIPXIEZ-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.60
Rot. Bonds4

About 2-(3-methylbuta-1,3-dien-2-yloxy)prop-2-en-1-ol

2-(3-methylbuta-1,3-dien-2-yloxy)prop-2-en-1-ol (PubChem CID 123219588) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 2-(3-methylbuta-1,3-dien-2-yloxy)prop-2-en-1-ol.

Molecular Properties

Compound Name2-(3-methylbuta-1,3-dien-2-yloxy)prop-2-en-1-ol
PubChem CID123219588
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name2-(3-methylbuta-1,3-dien-2-yloxy)prop-2-en-1-ol
SMILESC=C(CO)OC(=C)C(=C)C
InChIInChI=1S/C8H12O2/c1-6(2)8(4)10-7(3)5-9/h9H,1,3-5H2,2H3
InChIKeyZGPUTOYRIPXIEZ-UHFFFAOYSA-N
XLogP1.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-Hydroxybut-1-en-2-yloxy)but-3-en-2-ol
CID 19378361
2-[2-[2-(3-Methylbut-3-en-2-yloxy)ethoxy]ethoxy]ethanol
CID 19986594
2-Methyl-3-[2-(3-methylbuta-1,3-dien-2-yloxy)ethoxy]buta-1,3-diene
CID 57738780
2-(3-Methylbuta-1,3-dien-2-yloxy)ethanol
CID 58862969
2-(2-Hydroxyethoxy)ethanol;2-methyl-3-(3-methylbut-3-en-2-yloxy)but-1-ene
CID 88932814
2-[2-(3-Methylbut-3-en-2-yloxy)ethoxy]ethanol
CID 88932815
3-(3-Methylbuta-1,3-dien-2-yloxy)propane-1,2-diol
CID 89094304
1-Buta-1,3-dien-2-yloxy-3-(3-methylbuta-1,3-dien-2-yloxy)propan-2-ol
CID 90278749
2-[(2R)-3-methylbut-3-en-2-yl]oxyethanol
CID 117802051
2-(2-Methoxyethoxy)-3-methylbuta-1,3-diene
CID 121481707
1-(3-Methylbuta-1,3-dien-2-yloxy)butan-2-ol
CID 123897869
2-(2-Methylidenebutoxy)ethanol
CID 162704021

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbuta-1,3-dien-2-yloxy)prop-2-en-1-ol?
The IUPAC name of 2-(3-methylbuta-1,3-dien-2-yloxy)prop-2-en-1-ol (CID 123219588) is 2-(3-methylbuta-1,3-dien-2-yloxy)prop-2-en-1-ol.
What is the SMILES notation for 2-(3-methylbuta-1,3-dien-2-yloxy)prop-2-en-1-ol?
The canonical SMILES for 2-(3-methylbuta-1,3-dien-2-yloxy)prop-2-en-1-ol is C=C(CO)OC(=C)C(=C)C.
What is the InChIKey of 2-(3-methylbuta-1,3-dien-2-yloxy)prop-2-en-1-ol?
The InChIKey is ZGPUTOYRIPXIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-6(2)8(4)10-7(3)5-9/h9H,1,3-5H2,2H3.
What are the key properties of 2-(3-methylbuta-1,3-dien-2-yloxy)prop-2-en-1-ol?
2-(3-methylbuta-1,3-dien-2-yloxy)prop-2-en-1-ol has a molecular weight of 140.18 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbuta-1,3-dien-2-yloxy)prop-2-en-1-ol is sourced from PubChem (CID 123219588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).