2-methyl-4-prop-1-ynyloxan-4-ol

C9H14O2 — CID 126977531

IUPAC2-methyl-4-prop-1-ynyloxan-4-ol
SMILESCC#CC1(O)CCOC(C)C1
InChIInChI=1S/C9H14O2/c1-3-4-9(10)5-6-11-8(2)7-9/h8,10H,5-7H2,1-2H3
InChIKeyGBGWSZLOPITVTQ-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.94
Rot. Bonds

About 2-methyl-4-prop-1-ynyloxan-4-ol

2-methyl-4-prop-1-ynyloxan-4-ol (PubChem CID 126977531) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-methyl-4-prop-1-ynyloxan-4-ol.

Molecular Properties

Compound Name2-methyl-4-prop-1-ynyloxan-4-ol
PubChem CID126977531
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name2-methyl-4-prop-1-ynyloxan-4-ol
SMILESCC#CC1(O)CCOC(C)C1
InChIInChI=1S/C9H14O2/c1-3-4-9(10)5-6-11-8(2)7-9/h8,10H,5-7H2,1-2H3
InChIKeyGBGWSZLOPITVTQ-UHFFFAOYSA-N
XLogP0.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-prop-1-ynyloxan-4-ol?
The IUPAC name of 2-methyl-4-prop-1-ynyloxan-4-ol (CID 126977531) is 2-methyl-4-prop-1-ynyloxan-4-ol.
What is the SMILES notation for 2-methyl-4-prop-1-ynyloxan-4-ol?
The canonical SMILES for 2-methyl-4-prop-1-ynyloxan-4-ol is CC#CC1(O)CCOC(C)C1.
What is the InChIKey of 2-methyl-4-prop-1-ynyloxan-4-ol?
The InChIKey is GBGWSZLOPITVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-3-4-9(10)5-6-11-8(2)7-9/h8,10H,5-7H2,1-2H3.
What are the key properties of 2-methyl-4-prop-1-ynyloxan-4-ol?
2-methyl-4-prop-1-ynyloxan-4-ol has a molecular weight of 154.21 g/mol, XLogP of 0.94, 0 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-ynyloxan-4-ol is sourced from PubChem (CID 126977531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).