6-propan-2-yl-4H-1,3-dioxin-2-one

C7H10O3 — CID 89425045

IUPAC6-propan-2-yl-4H-1,3-dioxin-2-one
SMILESCC(C)C1=CCOC(=O)O1
InChIInChI=1S/C7H10O3/c1-5(2)6-3-4-9-7(8)10-6/h3,5H,4H2,1-2H3
InChIKeyPUHUOOJNWHQJFU-UHFFFAOYSA-N
MW142.15 g/mol
LogP1.69
Rot. Bonds1

About 6-propan-2-yl-4H-1,3-dioxin-2-one

6-propan-2-yl-4H-1,3-dioxin-2-one (PubChem CID 89425045) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 6-propan-2-yl-4H-1,3-dioxin-2-one.

Molecular Properties

Compound Name6-propan-2-yl-4H-1,3-dioxin-2-one
PubChem CID89425045
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name6-propan-2-yl-4H-1,3-dioxin-2-one
SMILESCC(C)C1=CCOC(=O)O1
InChIInChI=1S/C7H10O3/c1-5(2)6-3-4-9-7(8)10-6/h3,5H,4H2,1-2H3
InChIKeyPUHUOOJNWHQJFU-UHFFFAOYSA-N
XLogP1.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl [(Z)-4-methylpent-2-enyl] carbonate
CID 135079201
[(Z)-pent-2-en-3-yl] prop-2-enyl carbonate
CID 135083674
[(Z)-4-methylpent-2-en-3-yl] prop-2-enyl carbonate
CID 135083806
6-tert-butyl-4H-1,3-dioxin-2-one
CID 12003769
methyl [(E)-4-methylpent-2-enyl] carbonate
CID 20459254
4,6-dimethyl-4H-1,3-dioxine
CID 21339834
Methyl 4-methylpent-2-enyl carbonate
CID 54567097
4,5-dimethyl-6-propan-2-yl-4H-1,3-dioxin-2-one
CID 69478140
4-ethyl-6-methyl-4H-1,3-dioxin-2-one
CID 69478652
6-ethyl-4-methyl-4H-1,3-dioxin-2-one
CID 69478654
6-ethyl-4H-1,3-dioxin-2-one
CID 69479120
4,4-Dimethyl-6-propan-2-yl-1,3-dioxin-2-one
CID 69479764

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-4H-1,3-dioxin-2-one?
The IUPAC name of 6-propan-2-yl-4H-1,3-dioxin-2-one (CID 89425045) is 6-propan-2-yl-4H-1,3-dioxin-2-one.
What is the SMILES notation for 6-propan-2-yl-4H-1,3-dioxin-2-one?
The canonical SMILES for 6-propan-2-yl-4H-1,3-dioxin-2-one is CC(C)C1=CCOC(=O)O1.
What is the InChIKey of 6-propan-2-yl-4H-1,3-dioxin-2-one?
The InChIKey is PUHUOOJNWHQJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-5(2)6-3-4-9-7(8)10-6/h3,5H,4H2,1-2H3.
What are the key properties of 6-propan-2-yl-4H-1,3-dioxin-2-one?
6-propan-2-yl-4H-1,3-dioxin-2-one has a molecular weight of 142.15 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-4H-1,3-dioxin-2-one is sourced from PubChem (CID 89425045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).