ethyl 5-(1-hydroxycyclohexyl)-2-methylidenepentanoate

C14H24O3 — CID 10538031

IUPACethyl 5-(1-hydroxycyclohexyl)-2-methylidenepentanoate
SMILESC=C(CCCC1(O)CCCCC1)C(=O)OCC
InChIInChI=1S/C14H24O3/c1-3-17-13(15)12(2)8-7-11-14(16)9-5-4-6-10-14/h16H,2-11H2,1H3
InChIKeyCVHFWIRKBKQNPE-UHFFFAOYSA-N
MW240.34 g/mol
LogP2.97
Rot. Bonds6

About ethyl 5-(1-hydroxycyclohexyl)-2-methylidenepentanoate

ethyl 5-(1-hydroxycyclohexyl)-2-methylidenepentanoate (PubChem CID 10538031) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is ethyl 5-(1-hydroxycyclohexyl)-2-methylidenepentanoate.

Molecular Properties

Compound Nameethyl 5-(1-hydroxycyclohexyl)-2-methylidenepentanoate
PubChem CID10538031
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Nameethyl 5-(1-hydroxycyclohexyl)-2-methylidenepentanoate
SMILESC=C(CCCC1(O)CCCCC1)C(=O)OCC
InChIInChI=1S/C14H24O3/c1-3-17-13(15)12(2)8-7-11-14(16)9-5-4-6-10-14/h16H,2-11H2,1H3
InChIKeyCVHFWIRKBKQNPE-UHFFFAOYSA-N
XLogP2.97
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(1-hydroxycyclohexyl)-2-methylidenepentanoate?
The IUPAC name of ethyl 5-(1-hydroxycyclohexyl)-2-methylidenepentanoate (CID 10538031) is ethyl 5-(1-hydroxycyclohexyl)-2-methylidenepentanoate.
What is the SMILES notation for ethyl 5-(1-hydroxycyclohexyl)-2-methylidenepentanoate?
The canonical SMILES for ethyl 5-(1-hydroxycyclohexyl)-2-methylidenepentanoate is C=C(CCCC1(O)CCCCC1)C(=O)OCC.
What is the InChIKey of ethyl 5-(1-hydroxycyclohexyl)-2-methylidenepentanoate?
The InChIKey is CVHFWIRKBKQNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-3-17-13(15)12(2)8-7-11-14(16)9-5-4-6-10-14/h16H,2-11H2,1H3.
What are the key properties of ethyl 5-(1-hydroxycyclohexyl)-2-methylidenepentanoate?
ethyl 5-(1-hydroxycyclohexyl)-2-methylidenepentanoate has a molecular weight of 240.34 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(1-hydroxycyclohexyl)-2-methylidenepentanoate is sourced from PubChem (CID 10538031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).