4-methyl-1-(oxolan-2-yl)hexan-2-one

C11H20O2 — CID 62621142

IUPAC4-methyl-1-(oxolan-2-yl)hexan-2-one
SMILESCCC(C)CC(=O)CC1CCCO1
InChIInChI=1S/C11H20O2/c1-3-9(2)7-10(12)8-11-5-4-6-13-11/h9,11H,3-8H2,1-2H3
InChIKeyCYPYGWPKEVZBKF-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.56
Rot. Bonds5

About 4-methyl-1-(oxolan-2-yl)hexan-2-one

4-methyl-1-(oxolan-2-yl)hexan-2-one (PubChem CID 62621142) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 4-methyl-1-(oxolan-2-yl)hexan-2-one.

Molecular Properties

Compound Name4-methyl-1-(oxolan-2-yl)hexan-2-one
PubChem CID62621142
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name4-methyl-1-(oxolan-2-yl)hexan-2-one
SMILESCCC(C)CC(=O)CC1CCCO1
InChIInChI=1S/C11H20O2/c1-3-9(2)7-10(12)8-11-5-4-6-13-11/h9,11H,3-8H2,1-2H3
InChIKeyCYPYGWPKEVZBKF-UHFFFAOYSA-N
XLogP2.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-oxolan-2-yl]propan-2-one
CID 12812293
2-[methyl-[2-(oxolan-2-yl)acetyl]amino]butanoic acid
CID 65156846
N-(1-chloropropan-2-yl)-N-methyl-2-(oxolan-2-yl)acetamide
CID 104555697
1-methylsulfonyl-3-(oxolan-2-yl)propan-2-one
CID 114998406
N-(1-aminopropan-2-yl)-N-methyl-2-(oxolan-2-yl)acetamide;hydrochloride
CID 119260859
4-methoxy-1-(oxolan-2-yl)butan-2-one
CID 62620585
(2S,3S)-3-methyl-2-[[2-(oxolan-2-yl)acetyl]amino]pentanoic acid
CID 65157376
acetonitrile;2-(oxolan-2-yl)acetic acid
CID 67212386
5-methyl-1-(oxan-2-yl)hex-5-en-2-one
CID 114473726
2-[(2S)-oxolan-2-yl]acetamide
CID 89422838
4,4-dimethyl-1-(oxan-2-yl)pentan-2-one
CID 167643908
N-[(2S)-butan-2-yl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 28585328

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(oxolan-2-yl)hexan-2-one?
The IUPAC name of 4-methyl-1-(oxolan-2-yl)hexan-2-one (CID 62621142) is 4-methyl-1-(oxolan-2-yl)hexan-2-one.
What is the SMILES notation for 4-methyl-1-(oxolan-2-yl)hexan-2-one?
The canonical SMILES for 4-methyl-1-(oxolan-2-yl)hexan-2-one is CCC(C)CC(=O)CC1CCCO1.
What is the InChIKey of 4-methyl-1-(oxolan-2-yl)hexan-2-one?
The InChIKey is CYPYGWPKEVZBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-9(2)7-10(12)8-11-5-4-6-13-11/h9,11H,3-8H2,1-2H3.
What are the key properties of 4-methyl-1-(oxolan-2-yl)hexan-2-one?
4-methyl-1-(oxolan-2-yl)hexan-2-one has a molecular weight of 184.28 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(oxolan-2-yl)hexan-2-one is sourced from PubChem (CID 62621142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).