ethyl 2-(1-hydroxycyclononyl)propanoate

C14H26O3 — CID 15353413

IUPACethyl 2-(1-hydroxycyclononyl)propanoate
SMILESCCOC(=O)C(C)C1(O)CCCCCCCC1
InChIInChI=1S/C14H26O3/c1-3-17-13(15)12(2)14(16)10-8-6-4-5-7-9-11-14/h12,16H,3-11H2,1-2H3
InChIKeyCQWQOBNDQGROMJ-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.05
Rot. Bonds3

About ethyl 2-(1-hydroxycyclononyl)propanoate

ethyl 2-(1-hydroxycyclononyl)propanoate (PubChem CID 15353413) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is ethyl 2-(1-hydroxycyclononyl)propanoate.

Molecular Properties

Compound Nameethyl 2-(1-hydroxycyclononyl)propanoate
PubChem CID15353413
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Nameethyl 2-(1-hydroxycyclononyl)propanoate
SMILESCCOC(=O)C(C)C1(O)CCCCCCCC1
InChIInChI=1S/C14H26O3/c1-3-17-13(15)12(2)14(16)10-8-6-4-5-7-9-11-14/h12,16H,3-11H2,1-2H3
InChIKeyCQWQOBNDQGROMJ-UHFFFAOYSA-N
XLogP3.05
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-fluoro-2-(1-hydroxycycloheptyl)acetate
CID 79366378
ethyl 2-fluoro-2-(1-hydroxycyclobutyl)acetate
CID 79366198
ethyl 4,4-difluoro-2-(1-hydroxycyclopentyl)but-3-enoate
CID 11107253
ethyl 3-amino-2-(1-methylcyclohexyl)-3-oxopropanoate
CID 18694888
ethyl 3-[(1-hydroxycycloheptyl)methylamino]butanoate
CID 65122002
methyl 2-(1-hydroxy-4,4-dimethylcycloheptyl)propanoate
CID 65087693
ethyl 2-(1-fluorocyclopentyl)-2-hydroxyacetate
CID 12728534
butyl N-[(1S)-1-(1-hydroxycyclopentyl)ethyl]carbamate
CID 175766081
1,2-bis(1-hydroxycyclopentyl)ethyl 2-iodobutanoate
CID 129121555
1-[(1S)-1-aminoethyl]cyclohexan-1-ol
CID 92975390
tert-butyl 2-(1-ethyl-4-hydroxyazepan-4-yl)propanoate
CID 66337460
methyl 2-(1-ethyl-4-hydroxypiperidin-4-yl)propanoate
CID 62393991

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-hydroxycyclononyl)propanoate?
The IUPAC name of ethyl 2-(1-hydroxycyclononyl)propanoate (CID 15353413) is ethyl 2-(1-hydroxycyclononyl)propanoate.
What is the SMILES notation for ethyl 2-(1-hydroxycyclononyl)propanoate?
The canonical SMILES for ethyl 2-(1-hydroxycyclononyl)propanoate is CCOC(=O)C(C)C1(O)CCCCCCCC1.
What is the InChIKey of ethyl 2-(1-hydroxycyclononyl)propanoate?
The InChIKey is CQWQOBNDQGROMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-3-17-13(15)12(2)14(16)10-8-6-4-5-7-9-11-14/h12,16H,3-11H2,1-2H3.
What are the key properties of ethyl 2-(1-hydroxycyclononyl)propanoate?
ethyl 2-(1-hydroxycyclononyl)propanoate has a molecular weight of 242.36 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-hydroxycyclononyl)propanoate is sourced from PubChem (CID 15353413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).