ethyl 2-hydroxycycloheptene-1-carboxylate

C10H16O3 — CID 134893195

IUPACethyl 2-hydroxycycloheptene-1-carboxylate
SMILESCCOC(=O)C1=C(O)CCCCC1
InChIInChI=1S/C10H16O3/c1-2-13-10(12)8-6-4-3-5-7-9(8)11/h11H,2-7H2,1H3
InChIKeyQVSITZWJNNVCSI-UHFFFAOYSA-N
MW184.23 g/mol
LogP2.33
Rot. Bonds2

About ethyl 2-hydroxycycloheptene-1-carboxylate

ethyl 2-hydroxycycloheptene-1-carboxylate (PubChem CID 134893195) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is ethyl 2-hydroxycycloheptene-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-hydroxycycloheptene-1-carboxylate
PubChem CID134893195
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Nameethyl 2-hydroxycycloheptene-1-carboxylate
SMILESCCOC(=O)C1=C(O)CCCCC1
InChIInChI=1S/C10H16O3/c1-2-13-10(12)8-6-4-3-5-7-9(8)11/h11H,2-7H2,1H3
InChIKeyQVSITZWJNNVCSI-UHFFFAOYSA-N
XLogP2.33
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxycycloheptene-1-carboxylate?
The IUPAC name of ethyl 2-hydroxycycloheptene-1-carboxylate (CID 134893195) is ethyl 2-hydroxycycloheptene-1-carboxylate.
What is the SMILES notation for ethyl 2-hydroxycycloheptene-1-carboxylate?
The canonical SMILES for ethyl 2-hydroxycycloheptene-1-carboxylate is CCOC(=O)C1=C(O)CCCCC1.
What is the InChIKey of ethyl 2-hydroxycycloheptene-1-carboxylate?
The InChIKey is QVSITZWJNNVCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-2-13-10(12)8-6-4-3-5-7-9(8)11/h11H,2-7H2,1H3.
What are the key properties of ethyl 2-hydroxycycloheptene-1-carboxylate?
ethyl 2-hydroxycycloheptene-1-carboxylate has a molecular weight of 184.23 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxycycloheptene-1-carboxylate is sourced from PubChem (CID 134893195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).