4-propan-2-yloxolan-2-one;5-propan-2-yloxolan-2-one

C14H24O4 — CID 155596266

IUPAC4-propan-2-yloxolan-2-one;5-propan-2-yloxolan-2-one
SMILESCC(C)C1CCC(=O)O1.CC(C)C1COC(=O)C1
InChIInChI=1S/2C7H12O2/c1-5(2)6-3-7(8)9-4-6;1-5(2)6-3-4-7(8)9-6/h2*5-6H,3-4H2,1-2H3
InChIKeyPNAKJUFDCQHJKM-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.55
Rot. Bonds2

About 4-propan-2-yloxolan-2-one;5-propan-2-yloxolan-2-one

4-propan-2-yloxolan-2-one;5-propan-2-yloxolan-2-one (PubChem CID 155596266) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is 4-propan-2-yloxolan-2-one;5-propan-2-yloxolan-2-one.

Molecular Properties

Compound Name4-propan-2-yloxolan-2-one;5-propan-2-yloxolan-2-one
PubChem CID155596266
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name4-propan-2-yloxolan-2-one;5-propan-2-yloxolan-2-one
SMILESCC(C)C1CCC(=O)O1.CC(C)C1COC(=O)C1
InChIInChI=1S/2C7H12O2/c1-5(2)6-3-7(8)9-4-6;1-5(2)6-3-4-7(8)9-6/h2*5-6H,3-4H2,1-2H3
InChIKeyPNAKJUFDCQHJKM-UHFFFAOYSA-N
XLogP2.55
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-propan-2-yloxolan-2-one
CID 10997052
(4S)-4-propan-2-yloxetan-2-one
CID 11126218
5-(1-iodoethyl)oxolan-2-one
CID 101198694
4-(1-aminoethyl)oxolan-2-one
CID 173037685
4-(1-hydroxyethyl)oxolan-2-one
CID 12664706
(4R,6S)-4-methyl-6-propan-2-yloxepan-2-one
CID 45096478
4-(1-hydroxy-2-methylpropyl)oxolan-2-one
CID 74342868
(5R)-5-[(1S)-1-amino-3-methylbutyl]oxolan-2-one
CID 130877549
(4aS,6R,9aR)-6-propan-2-yl-3,4,4a,6,7,8,9,9a-octahydropyrano[3,2-b]oxepin-2-one
CID 11469914
(5R)-5-[(2S)-pent-4-en-2-yl]oxolan-2-one
CID 135037990
(5S)-5-[(1S)-1-bromopropyl]oxolan-2-one
CID 134965228
[(1S)-1-[(3R)-5-oxooxolan-3-yl]ethyl] acetate
CID 131860875

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxolan-2-one;5-propan-2-yloxolan-2-one?
The IUPAC name of 4-propan-2-yloxolan-2-one;5-propan-2-yloxolan-2-one (CID 155596266) is 4-propan-2-yloxolan-2-one;5-propan-2-yloxolan-2-one.
What is the SMILES notation for 4-propan-2-yloxolan-2-one;5-propan-2-yloxolan-2-one?
The canonical SMILES for 4-propan-2-yloxolan-2-one;5-propan-2-yloxolan-2-one is CC(C)C1CCC(=O)O1.CC(C)C1COC(=O)C1.
What is the InChIKey of 4-propan-2-yloxolan-2-one;5-propan-2-yloxolan-2-one?
The InChIKey is PNAKJUFDCQHJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H12O2/c1-5(2)6-3-7(8)9-4-6;1-5(2)6-3-4-7(8)9-6/h2*5-6H,3-4H2,1-2H3.
What are the key properties of 4-propan-2-yloxolan-2-one;5-propan-2-yloxolan-2-one?
4-propan-2-yloxolan-2-one;5-propan-2-yloxolan-2-one has a molecular weight of 256.34 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxolan-2-one;5-propan-2-yloxolan-2-one is sourced from PubChem (CID 155596266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).