CID 59371913

C14H20O4 — CID 59371913

IUPAC—
SMILES[CH]/C(C)=C/CC1=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/b8-6-
InChIKeyFQCSAYBUMOFZQI-VURMDHGXSA-N
MW252.31 g/mol
LogP1.59
Rot. Bonds4

About CID 59371913

CID 59371913 (PubChem CID 59371913) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol.

Molecular Properties

Compound NameCID 59371913
PubChem CID59371913
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name—
SMILES[CH]/C(C)=C/CC1=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/b8-6-
InChIKeyFQCSAYBUMOFZQI-VURMDHGXSA-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 59371913?
The IUPAC name of CID 59371913 (CID 59371913) is not available.
What is the SMILES notation for CID 59371913?
The canonical SMILES for CID 59371913 is [CH]/C(C)=C/CC1=C(C)C(O)C(OC)=C(OC)C1O.
What is the InChIKey of CID 59371913?
The InChIKey is FQCSAYBUMOFZQI-VURMDHGXSA-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/b8-6-.
What are the key properties of CID 59371913?
CID 59371913 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 59371913 is sourced from PubChem (CID 59371913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).