4-(2-methylprop-1-enyl)oxan-4-ol

C9H16O2 — CID 79189784

IUPAC4-(2-methylprop-1-enyl)oxan-4-ol
SMILESCC(C)=CC1(O)CCOCC1
InChIInChI=1S/C9H16O2/c1-8(2)7-9(10)3-5-11-6-4-9/h7,10H,3-6H2,1-2H3
InChIKeyYBOWLAMJAGEBSS-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.49
Rot. Bonds1

About 4-(2-methylprop-1-enyl)oxan-4-ol

4-(2-methylprop-1-enyl)oxan-4-ol (PubChem CID 79189784) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 4-(2-methylprop-1-enyl)oxan-4-ol.

Molecular Properties

Compound Name4-(2-methylprop-1-enyl)oxan-4-ol
PubChem CID79189784
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name4-(2-methylprop-1-enyl)oxan-4-ol
SMILESCC(C)=CC1(O)CCOCC1
InChIInChI=1S/C9H16O2/c1-8(2)7-9(10)3-5-11-6-4-9/h7,10H,3-6H2,1-2H3
InChIKeyYBOWLAMJAGEBSS-UHFFFAOYSA-N
XLogP1.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-(2-methylprop-1-enyl)oxan-4-ol?
The IUPAC name of 4-(2-methylprop-1-enyl)oxan-4-ol (CID 79189784) is 4-(2-methylprop-1-enyl)oxan-4-ol.
What is the SMILES notation for 4-(2-methylprop-1-enyl)oxan-4-ol?
The canonical SMILES for 4-(2-methylprop-1-enyl)oxan-4-ol is CC(C)=CC1(O)CCOCC1.
What is the InChIKey of 4-(2-methylprop-1-enyl)oxan-4-ol?
The InChIKey is YBOWLAMJAGEBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-8(2)7-9(10)3-5-11-6-4-9/h7,10H,3-6H2,1-2H3.
What are the key properties of 4-(2-methylprop-1-enyl)oxan-4-ol?
4-(2-methylprop-1-enyl)oxan-4-ol has a molecular weight of 156.22 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylprop-1-enyl)oxan-4-ol is sourced from PubChem (CID 79189784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).