(10R,11E,14R)-10-hydroxy-14-pentyl-1-oxacyclotetradec-11-ene-2,13-dione

C18H30O4 — CID 132571558

IUPAC(10R,11E,14R)-10-hydroxy-14-pentyl-1-oxacyclotetradec-11-ene-2,13-dione
SMILESCCCCC[C@H]1OC(=O)CCCCCCC[C@@H](O)/C=C/C1=O
InChIInChI=1S/C18H30O4/c1-2-3-7-11-17-16(20)14-13-15(19)10-8-5-4-6-9-12-18(21)22-17/h13-15,17,19H,2-12H2,1H3/b14-13+/t15-,17-/m1/s1
InChIKeyJJQOCZNUTZIGAX-RCKIBTJTSA-N
MW310.43 g/mol
LogP3.71
Rot. Bonds4

About (10R,11E,14R)-10-hydroxy-14-pentyl-1-oxacyclotetradec-11-ene-2,13-dione

(10R,11E,14R)-10-hydroxy-14-pentyl-1-oxacyclotetradec-11-ene-2,13-dione (PubChem CID 132571558) has the molecular formula C18H30O4 and a molecular weight of 310.43 g/mol. Its IUPAC name is (10R,11E,14R)-10-hydroxy-14-pentyl-1-oxacyclotetradec-11-ene-2,13-dione.

Molecular Properties

Compound Name(10R,11E,14R)-10-hydroxy-14-pentyl-1-oxacyclotetradec-11-ene-2,13-dione
PubChem CID132571558
Molecular FormulaC18H30O4
Molecular Weight310.43 g/mol
Exact Mass310.21
IUPAC Name(10R,11E,14R)-10-hydroxy-14-pentyl-1-oxacyclotetradec-11-ene-2,13-dione
SMILESCCCCC[C@H]1OC(=O)CCCCCCC[C@@H](O)/C=C/C1=O
InChIInChI=1S/C18H30O4/c1-2-3-7-11-17-16(20)14-13-15(19)10-8-5-4-6-9-12-18(21)22-17/h13-15,17,19H,2-12H2,1H3/b14-13+/t15-,17-/m1/s1
InChIKeyJJQOCZNUTZIGAX-RCKIBTJTSA-N
XLogP3.71
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (10R,11E,14R)-10-hydroxy-14-pentyl-1-oxacyclotetradec-11-ene-2,13-dione?
The IUPAC name of (10R,11E,14R)-10-hydroxy-14-pentyl-1-oxacyclotetradec-11-ene-2,13-dione (CID 132571558) is (10R,11E,14R)-10-hydroxy-14-pentyl-1-oxacyclotetradec-11-ene-2,13-dione.
What is the SMILES notation for (10R,11E,14R)-10-hydroxy-14-pentyl-1-oxacyclotetradec-11-ene-2,13-dione?
The canonical SMILES for (10R,11E,14R)-10-hydroxy-14-pentyl-1-oxacyclotetradec-11-ene-2,13-dione is CCCCC[C@H]1OC(=O)CCCCCCC[C@@H](O)/C=C/C1=O.
What is the InChIKey of (10R,11E,14R)-10-hydroxy-14-pentyl-1-oxacyclotetradec-11-ene-2,13-dione?
The InChIKey is JJQOCZNUTZIGAX-RCKIBTJTSA-N. The full InChI is InChI=1S/C18H30O4/c1-2-3-7-11-17-16(20)14-13-15(19)10-8-5-4-6-9-12-18(21)22-17/h13-15,17,19H,2-12H2,1H3/b14-13+/t15-,17-/m1/s1.
What are the key properties of (10R,11E,14R)-10-hydroxy-14-pentyl-1-oxacyclotetradec-11-ene-2,13-dione?
(10R,11E,14R)-10-hydroxy-14-pentyl-1-oxacyclotetradec-11-ene-2,13-dione has a molecular weight of 310.43 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (10R,11E,14R)-10-hydroxy-14-pentyl-1-oxacyclotetradec-11-ene-2,13-dione is sourced from PubChem (CID 132571558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).