(4-hydroxycyclohexyl) pent-4-enoate

C11H18O3 — CID 139491509

IUPAC(4-hydroxycyclohexyl) pent-4-enoate
SMILESC=CCCC(=O)OC1CCC(O)CC1
InChIInChI=1S/C11H18O3/c1-2-3-4-11(13)14-10-7-5-9(12)6-8-10/h2,9-10,12H,1,3-8H2
InChIKeyCYLMYSRIGPUDQN-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.80
Rot. Bonds4

About (4-hydroxycyclohexyl) pent-4-enoate

(4-hydroxycyclohexyl) pent-4-enoate (PubChem CID 139491509) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is (4-hydroxycyclohexyl) pent-4-enoate.

Molecular Properties

Compound Name(4-hydroxycyclohexyl) pent-4-enoate
PubChem CID139491509
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name(4-hydroxycyclohexyl) pent-4-enoate
SMILESC=CCCC(=O)OC1CCC(O)CC1
InChIInChI=1S/C11H18O3/c1-2-3-4-11(13)14-10-7-5-9(12)6-8-10/h2,9-10,12H,1,3-8H2
InChIKeyCYLMYSRIGPUDQN-UHFFFAOYSA-N
XLogP1.80
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxycyclohexyl) pent-4-enoate?
The IUPAC name of (4-hydroxycyclohexyl) pent-4-enoate (CID 139491509) is (4-hydroxycyclohexyl) pent-4-enoate.
What is the SMILES notation for (4-hydroxycyclohexyl) pent-4-enoate?
The canonical SMILES for (4-hydroxycyclohexyl) pent-4-enoate is C=CCCC(=O)OC1CCC(O)CC1.
What is the InChIKey of (4-hydroxycyclohexyl) pent-4-enoate?
The InChIKey is CYLMYSRIGPUDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-2-3-4-11(13)14-10-7-5-9(12)6-8-10/h2,9-10,12H,1,3-8H2.
What are the key properties of (4-hydroxycyclohexyl) pent-4-enoate?
(4-hydroxycyclohexyl) pent-4-enoate has a molecular weight of 198.26 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxycyclohexyl) pent-4-enoate is sourced from PubChem (CID 139491509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).