ethyl 1-(1-hydroxycyclopentyl)-3,3-dimethylcyclobutane-1-carboxylate

C14H24O3 — CID 165443747

IUPACethyl 1-(1-hydroxycyclopentyl)-3,3-dimethylcyclobutane-1-carboxylate
SMILESCCOC(=O)C1(C2(O)CCCC2)CC(C)(C)C1
InChIInChI=1S/C14H24O3/c1-4-17-11(15)13(9-12(2,3)10-13)14(16)7-5-6-8-14/h16H,4-10H2,1-3H3
InChIKeyUZJKBTSVRBVXMB-UHFFFAOYSA-N
MW240.34 g/mol
LogP2.66
Rot. Bonds3

About ethyl 1-(1-hydroxycyclopentyl)-3,3-dimethylcyclobutane-1-carboxylate

ethyl 1-(1-hydroxycyclopentyl)-3,3-dimethylcyclobutane-1-carboxylate (PubChem CID 165443747) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is ethyl 1-(1-hydroxycyclopentyl)-3,3-dimethylcyclobutane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1-hydroxycyclopentyl)-3,3-dimethylcyclobutane-1-carboxylate
PubChem CID165443747
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Nameethyl 1-(1-hydroxycyclopentyl)-3,3-dimethylcyclobutane-1-carboxylate
SMILESCCOC(=O)C1(C2(O)CCCC2)CC(C)(C)C1
InChIInChI=1S/C14H24O3/c1-4-17-11(15)13(9-12(2,3)10-13)14(16)7-5-6-8-14/h16H,4-10H2,1-3H3
InChIKeyUZJKBTSVRBVXMB-UHFFFAOYSA-N
XLogP2.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3aR,6aS)-6a-hydroxy-5-methylidene-2,3,4,6-tetrahydro-1H-pentalene-3a-carboxylate
CID 10932723
8a-ethoxycarbonyl-1,2,3,4,5,6,7,8-octahydronaphthalene-4a-carboxylic acid
CID 12859727
ethane;ethyl 1-methylcyclohexane-1-carboxylate;methane
CID 142438427
ethyl 1-fluorocyclopentane-1-carboxylate
CID 14460277
ethyl 8-methyltricyclo[3.2.1.03,8]octane-3-carboxylate
CID 143508275
cis-(1S,2R)-2-ethoxycarbonyl-1,2-dimethylcyclohexane-1-carboxylic acid
CID 175835686
ethyl (3aR,6S,6aR)-6a-ethynyl-6-hydroxy-6-methyl-2,3,4,5-tetrahydro-1H-pentalene-3a-carboxylate
CID 10105534
ethyl (3aR,6aS)-6a-hydroxy-1-methyl-1,2,3,4,5,6-hexahydropentalene-3a-carboxylate
CID 11735992
trans-ethyl (1S,2S)-1-(dimethylamino)-2-ethyl-2-hydroxycyclohexane-1-carboxylate
CID 163065190
ethyl (3aR,7aR)-7a-hydroxy-7-oxo-1,2,3,4,5,6-hexahydroindene-3a-carboxylate
CID 10900315
ethyl 2-acetylspiro[3.4]octane-2-carboxylate
CID 79560430
diethyl 2,2-dimethylcyclopentane-1,1-dicarboxylate
CID 135041560

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1-hydroxycyclopentyl)-3,3-dimethylcyclobutane-1-carboxylate?
The IUPAC name of ethyl 1-(1-hydroxycyclopentyl)-3,3-dimethylcyclobutane-1-carboxylate (CID 165443747) is ethyl 1-(1-hydroxycyclopentyl)-3,3-dimethylcyclobutane-1-carboxylate.
What is the SMILES notation for ethyl 1-(1-hydroxycyclopentyl)-3,3-dimethylcyclobutane-1-carboxylate?
The canonical SMILES for ethyl 1-(1-hydroxycyclopentyl)-3,3-dimethylcyclobutane-1-carboxylate is CCOC(=O)C1(C2(O)CCCC2)CC(C)(C)C1.
What is the InChIKey of ethyl 1-(1-hydroxycyclopentyl)-3,3-dimethylcyclobutane-1-carboxylate?
The InChIKey is UZJKBTSVRBVXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-4-17-11(15)13(9-12(2,3)10-13)14(16)7-5-6-8-14/h16H,4-10H2,1-3H3.
What are the key properties of ethyl 1-(1-hydroxycyclopentyl)-3,3-dimethylcyclobutane-1-carboxylate?
ethyl 1-(1-hydroxycyclopentyl)-3,3-dimethylcyclobutane-1-carboxylate has a molecular weight of 240.34 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1-hydroxycyclopentyl)-3,3-dimethylcyclobutane-1-carboxylate is sourced from PubChem (CID 165443747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).