CID 58611883

C14H20O4 — CID 58611883

IUPAC—
SMILES[CH]C(C)=CCC1=C(C)C(O)C(OC)=C(OC)C1O
InChIInChI=1S/C14H20O4/c1-8(2)6-7-10-9(3)11(15)13(17-4)14(18-5)12(10)16/h1,6,11-12,15-16H,7H2,2-5H3
InChIKeyFQCSAYBUMOFZQI-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.59
Rot. Bonds4

About CID 58611883

CID 58611883 (PubChem CID 58611883) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol.

Molecular Properties

Compound NameCID 58611883
PubChem CID58611883
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name—
SMILES[CH]C(C)=CCC1=C(C)C(O)C(OC)=C(OC)C1O
InChIInChI=1S/C14H20O4/c1-8(2)6-7-10-9(3)11(15)13(17-4)14(18-5)12(10)16/h1,6,11-12,15-16H,7H2,2-5H3
InChIKeyFQCSAYBUMOFZQI-UHFFFAOYSA-N
XLogP1.59
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 CID 58611883?
The IUPAC name of CID 58611883 (CID 58611883) is not available.
What is the SMILES notation for CID 58611883?
The canonical SMILES for CID 58611883 is [CH]C(C)=CCC1=C(C)C(O)C(OC)=C(OC)C1O.
What is the InChIKey of CID 58611883?
The InChIKey is FQCSAYBUMOFZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-8(2)6-7-10-9(3)11(15)13(17-4)14(18-5)12(10)16/h1,6,11-12,15-16H,7H2,2-5H3.
What are the key properties of CID 58611883?
CID 58611883 has a molecular weight of 252.31 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58611883 is sourced from PubChem (CID 58611883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).