1-(4-methyloxan-4-yl)ethenol

C8H14O2 — CID 160783598

IUPAC1-(4-methyloxan-4-yl)ethenol
SMILESC=C(O)C1(C)CCOCC1
InChIInChI=1S/C8H14O2/c1-7(9)8(2)3-5-10-6-4-8/h9H,1,3-6H2,2H3
InChIKeyONJWSVDRWFOLNS-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.87
Rot. Bonds1

About 1-(4-methyloxan-4-yl)ethenol

1-(4-methyloxan-4-yl)ethenol (PubChem CID 160783598) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-(4-methyloxan-4-yl)ethenol.

Molecular Properties

Compound Name1-(4-methyloxan-4-yl)ethenol
PubChem CID160783598
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name1-(4-methyloxan-4-yl)ethenol
SMILESC=C(O)C1(C)CCOCC1
InChIInChI=1S/C8H14O2/c1-7(9)8(2)3-5-10-6-4-8/h9H,1,3-6H2,2H3
InChIKeyONJWSVDRWFOLNS-UHFFFAOYSA-N
XLogP1.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.87
H-Bond Donors ≤ 51
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 1-(4-methyloxan-4-yl)ethenol?
The IUPAC name of 1-(4-methyloxan-4-yl)ethenol (CID 160783598) is 1-(4-methyloxan-4-yl)ethenol.
What is the SMILES notation for 1-(4-methyloxan-4-yl)ethenol?
The canonical SMILES for 1-(4-methyloxan-4-yl)ethenol is C=C(O)C1(C)CCOCC1.
What is the InChIKey of 1-(4-methyloxan-4-yl)ethenol?
The InChIKey is ONJWSVDRWFOLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-7(9)8(2)3-5-10-6-4-8/h9H,1,3-6H2,2H3.
What are the key properties of 1-(4-methyloxan-4-yl)ethenol?
1-(4-methyloxan-4-yl)ethenol has a molecular weight of 142.20 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyloxan-4-yl)ethenol is sourced from PubChem (CID 160783598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).