ethane;2-fluoro-1-(4-methyl-2H-pyran-6-yl)propan-1-ol;2-methoxy-3-methyl-1-(1-methylcyclopropyl)but-2-en-1-ol

C21H37FO4 — CID 142810089

IUPACethane;2-fluoro-1-(4-methyl-2H-pyran-6-yl)propan-1-ol;2-methoxy-3-methyl-1-(1-methylcyclopropyl)but-2-en-1-ol
SMILESCC.CC1=CCOC(C(O)C(C)F)=C1.COC(=C(C)C)C(O)C1(C)CC1
InChIInChI=1S/C10H18O2.C9H13FO2.C2H6/c1-7(2)8(12-4)9(11)10(3)5-6-10;1-6-3-4-12-8(5-6)9(11)7(2)10;1-2/h9,11H,5-6H2,1-4H3;3,5,7,9,11H,4H2,1-2H3;1-2H3
InChIKeyDGWGVSMCBOITEQ-UHFFFAOYSA-N
MW372.52 g/mol
LogP4.68
Rot. Bonds5

About ethane;2-fluoro-1-(4-methyl-2H-pyran-6-yl)propan-1-ol;2-methoxy-3-methyl-1-(1-methylcyclopropyl)but-2-en-1-ol

ethane;2-fluoro-1-(4-methyl-2H-pyran-6-yl)propan-1-ol;2-methoxy-3-methyl-1-(1-methylcyclopropyl)but-2-en-1-ol (PubChem CID 142810089) has the molecular formula C21H37FO4 and a molecular weight of 372.52 g/mol. Its IUPAC name is ethane;2-fluoro-1-(4-methyl-2H-pyran-6-yl)propan-1-ol;2-methoxy-3-methyl-1-(1-methylcyclopropyl)but-2-en-1-ol.

Molecular Properties

Compound Nameethane;2-fluoro-1-(4-methyl-2H-pyran-6-yl)propan-1-ol;2-methoxy-3-methyl-1-(1-methylcyclopropyl)but-2-en-1-ol
PubChem CID142810089
Molecular FormulaC21H37FO4
Molecular Weight372.52 g/mol
Exact Mass372.27
IUPAC Nameethane;2-fluoro-1-(4-methyl-2H-pyran-6-yl)propan-1-ol;2-methoxy-3-methyl-1-(1-methylcyclopropyl)but-2-en-1-ol
SMILESCC.CC1=CCOC(C(O)C(C)F)=C1.COC(=C(C)C)C(O)C1(C)CC1
InChIInChI=1S/C10H18O2.C9H13FO2.C2H6/c1-7(2)8(12-4)9(11)10(3)5-6-10;1-6-3-4-12-8(5-6)9(11)7(2)10;1-2/h9,11H,5-6H2,1-4H3;3,5,7,9,11H,4H2,1-2H3;1-2H3
InChIKeyDGWGVSMCBOITEQ-UHFFFAOYSA-N
XLogP4.68
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 ethane;2-fluoro-1-(4-methyl-2H-pyran-6-yl)propan-1-ol;2-methoxy-3-methyl-1-(1-methylcyclopropyl)but-2-en-1-ol?
The IUPAC name of ethane;2-fluoro-1-(4-methyl-2H-pyran-6-yl)propan-1-ol;2-methoxy-3-methyl-1-(1-methylcyclopropyl)but-2-en-1-ol (CID 142810089) is ethane;2-fluoro-1-(4-methyl-2H-pyran-6-yl)propan-1-ol;2-methoxy-3-methyl-1-(1-methylcyclopropyl)but-2-en-1-ol.
What is the SMILES notation for ethane;2-fluoro-1-(4-methyl-2H-pyran-6-yl)propan-1-ol;2-methoxy-3-methyl-1-(1-methylcyclopropyl)but-2-en-1-ol?
The canonical SMILES for ethane;2-fluoro-1-(4-methyl-2H-pyran-6-yl)propan-1-ol;2-methoxy-3-methyl-1-(1-methylcyclopropyl)but-2-en-1-ol is CC.CC1=CCOC(C(O)C(C)F)=C1.COC(=C(C)C)C(O)C1(C)CC1.
What is the InChIKey of ethane;2-fluoro-1-(4-methyl-2H-pyran-6-yl)propan-1-ol;2-methoxy-3-methyl-1-(1-methylcyclopropyl)but-2-en-1-ol?
The InChIKey is DGWGVSMCBOITEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2.C9H13FO2.C2H6/c1-7(2)8(12-4)9(11)10(3)5-6-10;1-6-3-4-12-8(5-6)9(11)7(2)10;1-2/h9,11H,5-6H2,1-4H3;3,5,7,9,11H,4H2,1-2H3;1-2H3.
What are the key properties of ethane;2-fluoro-1-(4-methyl-2H-pyran-6-yl)propan-1-ol;2-methoxy-3-methyl-1-(1-methylcyclopropyl)but-2-en-1-ol?
ethane;2-fluoro-1-(4-methyl-2H-pyran-6-yl)propan-1-ol;2-methoxy-3-methyl-1-(1-methylcyclopropyl)but-2-en-1-ol has a molecular weight of 372.52 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-fluoro-1-(4-methyl-2H-pyran-6-yl)propan-1-ol;2-methoxy-3-methyl-1-(1-methylcyclopropyl)but-2-en-1-ol is sourced from PubChem (CID 142810089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).