2-(4-methyl-1,3-dioxolan-2-yl)-4H-pyran

C9H12O3 — CID 143642369

IUPAC2-(4-methyl-1,3-dioxolan-2-yl)-4H-pyran
SMILESCC1COC(C2=CCC=CO2)O1
InChIInChI=1S/C9H12O3/c1-7-6-11-9(12-7)8-4-2-3-5-10-8/h3-5,7,9H,2,6H2,1H3
InChIKeyZWYQJRZCPNBFLD-UHFFFAOYSA-N
MW168.19 g/mol
LogP1.57
Rot. Bonds1

About 2-(4-methyl-1,3-dioxolan-2-yl)-4H-pyran

2-(4-methyl-1,3-dioxolan-2-yl)-4H-pyran (PubChem CID 143642369) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is 2-(4-methyl-1,3-dioxolan-2-yl)-4H-pyran.

Molecular Properties

Compound Name2-(4-methyl-1,3-dioxolan-2-yl)-4H-pyran
PubChem CID143642369
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name2-(4-methyl-1,3-dioxolan-2-yl)-4H-pyran
SMILESCC1COC(C2=CCC=CO2)O1
InChIInChI=1S/C9H12O3/c1-7-6-11-9(12-7)8-4-2-3-5-10-8/h3-5,7,9H,2,6H2,1H3
InChIKeyZWYQJRZCPNBFLD-UHFFFAOYSA-N
XLogP1.57
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-4-methyl-2-(pent-1-enyl)-1,3-dioxolane
CID 5370364
4-Methyl-2-(1-penten-1-yl)-1,3-dioxolane
CID 574707
2-(2,5-Dimethoxy-2,5-dihydrofuran-2-yl)-1,3-dioxolane
CID 12770203
2,2-bis[(E)-prop-1-enyl]-1,3-dioxolane
CID 135079611
6,8-Dioxabicyclo[3.2.1]oct-2-ene
CID 13438401
2,7-Dioxabicyclo[2.2.1]hept-5-ene
CID 14474501
1,6-anhydro-3,4-dideoxy-2-O-methyl-beta-d-threo-hex-3-enopyranose
CID 21595655
4-Methyl-2-(1-methyl-1-butenyl)-1,3-dioxolane
CID 11970580
4-Piperidinamine,1-methyl-3-(1-methylethyl)-
CID 53426669
8,8-Dimethoxy-1,4-dioxaspiro[4.5]deca-6,9-diene
CID 597496
(3aR,6aR)-2,2-dimethyl-5-[(E)-prop-1-enyl]-3a,6a-dihydrofuro[2,3-d][1,3]dioxole
CID 15315365
(4R,5R)-4,5-dimethyl-2-[(E)-prop-1-enyl]-1,3-dioxolane
CID 11018981

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-dioxolan-2-yl)-4H-pyran?
The IUPAC name of 2-(4-methyl-1,3-dioxolan-2-yl)-4H-pyran (CID 143642369) is 2-(4-methyl-1,3-dioxolan-2-yl)-4H-pyran.
What is the SMILES notation for 2-(4-methyl-1,3-dioxolan-2-yl)-4H-pyran?
The canonical SMILES for 2-(4-methyl-1,3-dioxolan-2-yl)-4H-pyran is CC1COC(C2=CCC=CO2)O1.
What is the InChIKey of 2-(4-methyl-1,3-dioxolan-2-yl)-4H-pyran?
The InChIKey is ZWYQJRZCPNBFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3/c1-7-6-11-9(12-7)8-4-2-3-5-10-8/h3-5,7,9H,2,6H2,1H3.
What are the key properties of 2-(4-methyl-1,3-dioxolan-2-yl)-4H-pyran?
2-(4-methyl-1,3-dioxolan-2-yl)-4H-pyran has a molecular weight of 168.19 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-dioxolan-2-yl)-4H-pyran is sourced from PubChem (CID 143642369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).