(3-acetyl-2,2-dimethylcyclobutyl)methyl formate

C10H16O3 — CID 101008953

IUPAC(3-acetyl-2,2-dimethylcyclobutyl)methyl formate
SMILESCC(=O)C1CC(COC=O)C1(C)C
InChIInChI=1S/C10H16O3/c1-7(12)9-4-8(5-13-6-11)10(9,2)3/h6,8-9H,4-5H2,1-3H3
InChIKeyCBUUOJLEAHXQBU-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.41
Rot. Bonds4

About (3-acetyl-2,2-dimethylcyclobutyl)methyl formate

(3-acetyl-2,2-dimethylcyclobutyl)methyl formate (PubChem CID 101008953) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (3-acetyl-2,2-dimethylcyclobutyl)methyl formate.

Molecular Properties

Compound Name(3-acetyl-2,2-dimethylcyclobutyl)methyl formate
PubChem CID101008953
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(3-acetyl-2,2-dimethylcyclobutyl)methyl formate
SMILESCC(=O)C1CC(COC=O)C1(C)C
InChIInChI=1S/C10H16O3/c1-7(12)9-4-8(5-13-6-11)10(9,2)3/h6,8-9H,4-5H2,1-3H3
InChIKeyCBUUOJLEAHXQBU-UHFFFAOYSA-N
XLogP1.41
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[(1R,3R)-3-acetyl-2,2-dimethylcyclobutyl]acetaldehyde
CID 12600914
3-[(1R,3R)-3-acetyl-2,2-dimethylcyclobutyl]propanoic acid
CID 40551373
dodecyl 2-[(1R,3S)-3-acetyl-2,2-dimethylcyclobutyl]acetate
CID 98529221
(2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)methyl 3-methylbutanoate
CID 155250138
2-(3-acetyl-2,2-dimethylcyclobutyl)-N-(1-adamantyl)acetamide
CID 4105242
(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl formate
CID 131856690
1-[(1S,3R)-3-methoxy-2,2-dimethylcyclobutyl]ethanone
CID 164781608
(thiophen-2-ylmethylideneamino) 2-[(1S,3S)-3-acetyl-2,2-dimethylcyclobutyl]acetate
CID 175794552
2-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2,2-dimethylcyclobutyl]acetic acid
CID 5458250
[(E)-2-[(1S,3S)-3-acetyl-2,2-dimethylcyclobutyl]ethenyl] acetate
CID 11745897
2-(2-acetyl-1-methylcyclobutyl)acetaldehyde
CID 130035364
(2-methylcyclopropyl)methyl formate
CID 89103941

Frequently Asked Questions

What is the IUPAC name of (3-acetyl-2,2-dimethylcyclobutyl)methyl formate?
The IUPAC name of (3-acetyl-2,2-dimethylcyclobutyl)methyl formate (CID 101008953) is (3-acetyl-2,2-dimethylcyclobutyl)methyl formate.
What is the SMILES notation for (3-acetyl-2,2-dimethylcyclobutyl)methyl formate?
The canonical SMILES for (3-acetyl-2,2-dimethylcyclobutyl)methyl formate is CC(=O)C1CC(COC=O)C1(C)C.
What is the InChIKey of (3-acetyl-2,2-dimethylcyclobutyl)methyl formate?
The InChIKey is CBUUOJLEAHXQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-7(12)9-4-8(5-13-6-11)10(9,2)3/h6,8-9H,4-5H2,1-3H3.
What are the key properties of (3-acetyl-2,2-dimethylcyclobutyl)methyl formate?
(3-acetyl-2,2-dimethylcyclobutyl)methyl formate has a molecular weight of 184.23 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-acetyl-2,2-dimethylcyclobutyl)methyl formate is sourced from PubChem (CID 101008953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).