2-methyl-4-prop-1-en-2-yloxan-4-ol

C9H16O2 — CID 79189584

IUPAC2-methyl-4-prop-1-en-2-yloxan-4-ol
SMILESC=C(C)C1(O)CCOC(C)C1
InChIInChI=1S/C9H16O2/c1-7(2)9(10)4-5-11-8(3)6-9/h8,10H,1,4-6H2,2-3H3
InChIKeyJCGRJVFDPHCISK-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.49
Rot. Bonds1

About 2-methyl-4-prop-1-en-2-yloxan-4-ol

2-methyl-4-prop-1-en-2-yloxan-4-ol (PubChem CID 79189584) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-methyl-4-prop-1-en-2-yloxan-4-ol.

Molecular Properties

Compound Name2-methyl-4-prop-1-en-2-yloxan-4-ol
PubChem CID79189584
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-methyl-4-prop-1-en-2-yloxan-4-ol
SMILESC=C(C)C1(O)CCOC(C)C1
InChIInChI=1S/C9H16O2/c1-7(2)9(10)4-5-11-8(3)6-9/h8,10H,1,4-6H2,2-3H3
InChIKeyJCGRJVFDPHCISK-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 2-methyl-4-prop-1-en-2-yloxan-4-ol?
The IUPAC name of 2-methyl-4-prop-1-en-2-yloxan-4-ol (CID 79189584) is 2-methyl-4-prop-1-en-2-yloxan-4-ol.
What is the SMILES notation for 2-methyl-4-prop-1-en-2-yloxan-4-ol?
The canonical SMILES for 2-methyl-4-prop-1-en-2-yloxan-4-ol is C=C(C)C1(O)CCOC(C)C1.
What is the InChIKey of 2-methyl-4-prop-1-en-2-yloxan-4-ol?
The InChIKey is JCGRJVFDPHCISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-7(2)9(10)4-5-11-8(3)6-9/h8,10H,1,4-6H2,2-3H3.
What are the key properties of 2-methyl-4-prop-1-en-2-yloxan-4-ol?
2-methyl-4-prop-1-en-2-yloxan-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 2-methyl-4-prop-1-en-2-yloxan-4-ol is sourced from PubChem (CID 79189584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).