3-methyl-1-(oxolan-3-yl)pentan-2-one

C10H18O2 — CID 103986310

IUPAC3-methyl-1-(oxolan-3-yl)pentan-2-one
SMILESCCC(C)C(=O)CC1CCOC1
InChIInChI=1S/C10H18O2/c1-3-8(2)10(11)6-9-4-5-12-7-9/h8-9H,3-7H2,1-2H3
InChIKeyCMTNSNIXPWTBMT-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.03
Rot. Bonds4

About 3-methyl-1-(oxolan-3-yl)pentan-2-one

3-methyl-1-(oxolan-3-yl)pentan-2-one (PubChem CID 103986310) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3-methyl-1-(oxolan-3-yl)pentan-2-one.

Molecular Properties

Compound Name3-methyl-1-(oxolan-3-yl)pentan-2-one
PubChem CID103986310
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3-methyl-1-(oxolan-3-yl)pentan-2-one
SMILESCCC(C)C(=O)CC1CCOC1
InChIInChI=1S/C10H18O2/c1-3-8(2)10(11)6-9-4-5-12-7-9/h8-9H,3-7H2,1-2H3
InChIKeyCMTNSNIXPWTBMT-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-ethyl-3-oxo-4-(oxolan-3-yl)butanoate
CID 103987726
4-amino-3-methyl-1-(oxan-4-yl)butan-2-one
CID 116564545
1-(1,3-dioxolan-2-yl)-3-methylpentan-2-one
CID 103543779
5-methyl-1-(oxolan-3-yl)hexan-2-one
CID 103986168
methane;3-methyl-1-(oxiran-2-yl)pentan-2-one
CID 162262211
2-methyl-3-[(3S)-oxolan-3-yl]propanamide
CID 162453240
1-(oxan-4-yl)-3-(oxolan-3-yl)propan-2-one
CID 103986313
fluoro 2-(oxolan-3-yl)acetate
CID 176972898
2-methyl-N-(oxolan-3-ylmethyl)butan-1-amine
CID 60919551
2-(oxolan-3-ylmethylamino)butanoic acid
CID 64668954
2-[(3S)-oxolan-3-yl]-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone
CID 176724619
3-methyl-1-piperidin-3-ylpentan-2-one
CID 116564111

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(oxolan-3-yl)pentan-2-one?
The IUPAC name of 3-methyl-1-(oxolan-3-yl)pentan-2-one (CID 103986310) is 3-methyl-1-(oxolan-3-yl)pentan-2-one.
What is the SMILES notation for 3-methyl-1-(oxolan-3-yl)pentan-2-one?
The canonical SMILES for 3-methyl-1-(oxolan-3-yl)pentan-2-one is CCC(C)C(=O)CC1CCOC1.
What is the InChIKey of 3-methyl-1-(oxolan-3-yl)pentan-2-one?
The InChIKey is CMTNSNIXPWTBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-8(2)10(11)6-9-4-5-12-7-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 3-methyl-1-(oxolan-3-yl)pentan-2-one?
3-methyl-1-(oxolan-3-yl)pentan-2-one has a molecular weight of 170.25 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(oxolan-3-yl)pentan-2-one is sourced from PubChem (CID 103986310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).