4-propan-2-yl-5-propyloxolan-2-one

C10H18O2 — CID 86109593

IUPAC4-propan-2-yl-5-propyloxolan-2-one
SMILESCCCC1OC(=O)CC1C(C)C
InChIInChI=1S/C10H18O2/c1-4-5-9-8(7(2)3)6-10(11)12-9/h7-9H,4-6H2,1-3H3
InChIKeyYCSMAIFFUQZHDO-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.37
Rot. Bonds3

About 4-propan-2-yl-5-propyloxolan-2-one

4-propan-2-yl-5-propyloxolan-2-one (PubChem CID 86109593) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 4-propan-2-yl-5-propyloxolan-2-one.

Molecular Properties

Compound Name4-propan-2-yl-5-propyloxolan-2-one
PubChem CID86109593
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name4-propan-2-yl-5-propyloxolan-2-one
SMILESCCCC1OC(=O)CC1C(C)C
InChIInChI=1S/C10H18O2/c1-4-5-9-8(7(2)3)6-10(11)12-9/h7-9H,4-6H2,1-3H3
InChIKeyYCSMAIFFUQZHDO-UHFFFAOYSA-N
XLogP2.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dipropyl-1,4-dioxacyclotetradecane-5,14-dione
CID 139948458
(4S,5R)-4-(bromomethyl)-5-pentyloxolan-2-one
CID 11402416
(4S)-4-propan-2-yloxetan-2-one
CID 11126218
(4S,5R)-5-heptyl-4-hydroxyoxolan-2-one
CID 102399491
5-hydroxy-4-propyloxolan-2-one
CID 23531071
(4R)-4-ethyloxetan-2-one
CID 14325240
(3aS,4S,6aR)-4-propan-2-yl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 10419568
4-dodecyloxetan-2-one
CID 90110174
(4R,5S)-4-methylsulfanyl-5-octyloxolan-2-one
CID 132551224
(5R,6S)-5-iodo-6-pentyloxan-2-one
CID 132521395
4,8-diethyl-1,5-dioxocane-2,6-dione
CID 171057524
(4R,5S)-4-methyl-5-propyl-1,3-oxazolidin-2-one
CID 55298752

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-5-propyloxolan-2-one?
The IUPAC name of 4-propan-2-yl-5-propyloxolan-2-one (CID 86109593) is 4-propan-2-yl-5-propyloxolan-2-one.
What is the SMILES notation for 4-propan-2-yl-5-propyloxolan-2-one?
The canonical SMILES for 4-propan-2-yl-5-propyloxolan-2-one is CCCC1OC(=O)CC1C(C)C.
What is the InChIKey of 4-propan-2-yl-5-propyloxolan-2-one?
The InChIKey is YCSMAIFFUQZHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-5-9-8(7(2)3)6-10(11)12-9/h7-9H,4-6H2,1-3H3.
What are the key properties of 4-propan-2-yl-5-propyloxolan-2-one?
4-propan-2-yl-5-propyloxolan-2-one has a molecular weight of 170.25 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-5-propyloxolan-2-one is sourced from PubChem (CID 86109593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).