1-(5,5-dimethyloxolan-2-yl)pentan-3-one

C11H20O2 — CID 116522536

IUPAC1-(5,5-dimethyloxolan-2-yl)pentan-3-one
SMILESCCC(=O)CCC1CCC(C)(C)O1
InChIInChI=1S/C11H20O2/c1-4-9(12)5-6-10-7-8-11(2,3)13-10/h10H,4-8H2,1-3H3
InChIKeyVYMRBNINKRNKDM-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.70
Rot. Bonds4

About 1-(5,5-dimethyloxolan-2-yl)pentan-3-one

1-(5,5-dimethyloxolan-2-yl)pentan-3-one (PubChem CID 116522536) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(5,5-dimethyloxolan-2-yl)pentan-3-one.

Molecular Properties

Compound Name1-(5,5-dimethyloxolan-2-yl)pentan-3-one
PubChem CID116522536
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name1-(5,5-dimethyloxolan-2-yl)pentan-3-one
SMILESCCC(=O)CCC1CCC(C)(C)O1
InChIInChI=1S/C11H20O2/c1-4-9(12)5-6-10-7-8-11(2,3)13-10/h10H,4-8H2,1-3H3
InChIKeyVYMRBNINKRNKDM-UHFFFAOYSA-N
XLogP2.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5,5-dimethyloxolan-2-yl)propan-1-ol
CID 116523847
4-(5,5-dimethyloxolan-2-yl)butan-1-ol
CID 116524331
2-[(5,5-dimethyloxolan-2-yl)methylamino]-N-ethylpropanamide
CID 116521319
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-sulfanylpropanamide
CID 164646624
5-(3-bromohexyl)-2,2-dimethyloxolane
CID 116523352
1-[(5,5-dimethyloxolan-2-yl)methyl]cyclobutane-1-carboxylic acid
CID 116522822
1-(5,5-dimethyloxolan-2-yl)butan-2-amine
CID 116524943
N-cyclopropyl-2-[(5,5-dimethyloxolan-2-yl)methylamino]acetamide
CID 116521228
5-(4-chlorohexyl)-2,2-dimethyloxolane
CID 116524355
5-(3-bromo-4-methylpentyl)-2,2-dimethyloxolane
CID 116523355
4-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]butanoic acid
CID 116522700
2-[(5,5-dimethyloxolan-2-yl)methylsulfonyl]butanoic acid
CID 105354346

Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dimethyloxolan-2-yl)pentan-3-one?
The IUPAC name of 1-(5,5-dimethyloxolan-2-yl)pentan-3-one (CID 116522536) is 1-(5,5-dimethyloxolan-2-yl)pentan-3-one.
What is the SMILES notation for 1-(5,5-dimethyloxolan-2-yl)pentan-3-one?
The canonical SMILES for 1-(5,5-dimethyloxolan-2-yl)pentan-3-one is CCC(=O)CCC1CCC(C)(C)O1.
What is the InChIKey of 1-(5,5-dimethyloxolan-2-yl)pentan-3-one?
The InChIKey is VYMRBNINKRNKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-9(12)5-6-10-7-8-11(2,3)13-10/h10H,4-8H2,1-3H3.
What are the key properties of 1-(5,5-dimethyloxolan-2-yl)pentan-3-one?
1-(5,5-dimethyloxolan-2-yl)pentan-3-one has a molecular weight of 184.28 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dimethyloxolan-2-yl)pentan-3-one is sourced from PubChem (CID 116522536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).