3-(2-ethylbutyl)oxolan-2-one

C10H18O2 — CID 14047238

IUPAC3-(2-ethylbutyl)oxolan-2-one
SMILESCCC(CC)CC1CCOC1=O
InChIInChI=1S/C10H18O2/c1-3-8(4-2)7-9-5-6-12-10(9)11/h8-9H,3-7H2,1-2H3
InChIKeyTZFHJTDCYPTYTN-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.38
Rot. Bonds4

About 3-(2-ethylbutyl)oxolan-2-one

3-(2-ethylbutyl)oxolan-2-one (PubChem CID 14047238) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3-(2-ethylbutyl)oxolan-2-one.

Molecular Properties

Compound Name3-(2-ethylbutyl)oxolan-2-one
PubChem CID14047238
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3-(2-ethylbutyl)oxolan-2-one
SMILESCCC(CC)CC1CCOC1=O
InChIInChI=1S/C10H18O2/c1-3-8(4-2)7-9-5-6-12-10(9)11/h8-9H,3-7H2,1-2H3
InChIKeyTZFHJTDCYPTYTN-UHFFFAOYSA-N
XLogP2.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2S)-2-methyl-3-oxobutyl]oxolan-2-one
CID 46201937
3-(3-hydroxy-2-iodopropyl)oxolan-2-one
CID 11097593
(3R)-3-[(3S)-pent-1-en-3-yl]oxolan-2-one
CID 45276221
3-(iodomethyl)oxolan-2-one
CID 15214158
3-[[(2-oxooxolan-3-yl)methyldisulfanyl]methyl]oxolan-2-one
CID 10849081
3-(2-ethoxyethyl)oxolan-2-one
CID 165357092
3-ethyloxepan-2-one
CID 22116783
3-[(Z)-pent-2-enyl]oxan-2-one
CID 67243802
3,4-dimethyloxan-2-one
CID 13200721
(3S)-3-aminooxolan-2-one;ethane
CID 90724165
(2-oxooxolan-3-yl)methyl acetate
CID 12039852
3-pent-4-enyloxolan-2-one
CID 139448427

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylbutyl)oxolan-2-one?
The IUPAC name of 3-(2-ethylbutyl)oxolan-2-one (CID 14047238) is 3-(2-ethylbutyl)oxolan-2-one.
What is the SMILES notation for 3-(2-ethylbutyl)oxolan-2-one?
The canonical SMILES for 3-(2-ethylbutyl)oxolan-2-one is CCC(CC)CC1CCOC1=O.
What is the InChIKey of 3-(2-ethylbutyl)oxolan-2-one?
The InChIKey is TZFHJTDCYPTYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-8(4-2)7-9-5-6-12-10(9)11/h8-9H,3-7H2,1-2H3.
What are the key properties of 3-(2-ethylbutyl)oxolan-2-one?
3-(2-ethylbutyl)oxolan-2-one has a molecular weight of 170.25 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylbutyl)oxolan-2-one is sourced from PubChem (CID 14047238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).