(2,2-dimethylcyclopentyl)-[5-(methoxymethyl)furan-2-yl]methanone

C14H20O3 — CID 107176714

IUPAC(2,2-dimethylcyclopentyl)-[5-(methoxymethyl)furan-2-yl]methanone
SMILESCOCc1ccc(C(=O)C2CCCC2(C)C)o1
InChIInChI=1S/C14H20O3/c1-14(2)8-4-5-11(14)13(15)12-7-6-10(17-12)9-16-3/h6-7,11H,4-5,8-9H2,1-3H3
InChIKeyUEDOFZVCXVZPGR-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.43
Rot. Bonds4

About (2,2-dimethylcyclopentyl)-[5-(methoxymethyl)furan-2-yl]methanone

(2,2-dimethylcyclopentyl)-[5-(methoxymethyl)furan-2-yl]methanone (PubChem CID 107176714) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is (2,2-dimethylcyclopentyl)-[5-(methoxymethyl)furan-2-yl]methanone.

Molecular Properties

Compound Name(2,2-dimethylcyclopentyl)-[5-(methoxymethyl)furan-2-yl]methanone
PubChem CID107176714
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name(2,2-dimethylcyclopentyl)-[5-(methoxymethyl)furan-2-yl]methanone
SMILESCOCc1ccc(C(=O)C2CCCC2(C)C)o1
InChIInChI=1S/C14H20O3/c1-14(2)8-4-5-11(14)13(15)12-7-6-10(17-12)9-16-3/h6-7,11H,4-5,8-9H2,1-3H3
InChIKeyUEDOFZVCXVZPGR-UHFFFAOYSA-N
XLogP3.43
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,2-dimethylcyclohexyl)-(5-ethylfuran-2-yl)methanone
CID 107176518
5-(2,2-dimethylcyclohexanecarbonyl)furan-2-carboxylic acid
CID 107187699
N-cyclooctyl-5-(methoxymethyl)furan-2-carboxamide
CID 86912047
6-[5-(methoxymethyl)furan-2-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175089
(2R)-6-[5-(methoxymethyl)furan-2-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 129467286
5-(methoxymethyl)furan-2-carbonyl chloride
CID 45081463
5-[[(2,2-dimethylcyclohexanecarbonyl)amino]methyl]furan-2-carboxylic acid
CID 107175730
1-[5-(methoxymethyl)furan-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 119355659
(2,2-dimethylcyclopropyl)-(5-ethylfuran-2-yl)methanone
CID 107000752
2-[5-(methoxymethyl)furan-2-yl]-2-oxoacetyl chloride
CID 45080964
[5-(methoxymethyl)furan-2-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488456
(2,2-dimethylcyclopentyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
CID 107176525

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclopentyl)-[5-(methoxymethyl)furan-2-yl]methanone?
The IUPAC name of (2,2-dimethylcyclopentyl)-[5-(methoxymethyl)furan-2-yl]methanone (CID 107176714) is (2,2-dimethylcyclopentyl)-[5-(methoxymethyl)furan-2-yl]methanone.
What is the SMILES notation for (2,2-dimethylcyclopentyl)-[5-(methoxymethyl)furan-2-yl]methanone?
The canonical SMILES for (2,2-dimethylcyclopentyl)-[5-(methoxymethyl)furan-2-yl]methanone is COCc1ccc(C(=O)C2CCCC2(C)C)o1.
What is the InChIKey of (2,2-dimethylcyclopentyl)-[5-(methoxymethyl)furan-2-yl]methanone?
The InChIKey is UEDOFZVCXVZPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-14(2)8-4-5-11(14)13(15)12-7-6-10(17-12)9-16-3/h6-7,11H,4-5,8-9H2,1-3H3.
What are the key properties of (2,2-dimethylcyclopentyl)-[5-(methoxymethyl)furan-2-yl]methanone?
(2,2-dimethylcyclopentyl)-[5-(methoxymethyl)furan-2-yl]methanone has a molecular weight of 236.31 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclopentyl)-[5-(methoxymethyl)furan-2-yl]methanone is sourced from PubChem (CID 107176714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).