CID 123945374

C20H32O4 — CID 123945374

IUPAC—
SMILESCC(C)(C)C1CC(O)CC2(C1)OOC1(O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C20H32O4/c1-18(2,3)16-9-17(21)11-19(10-16)22-20(24-23-19)14-5-12-4-13(7-14)8-15(20)6-12/h12-17,21H,4-11H2,1-3H3
InChIKeyHFOGXTZLQDOEFX-UHFFFAOYSA-N
MW336.47 g/mol
LogP4.02
Rot. Bonds

About CID 123945374

CID 123945374 (PubChem CID 123945374) has the molecular formula C20H32O4 and a molecular weight of 336.47 g/mol.

Molecular Properties

Compound NameCID 123945374
PubChem CID123945374
Molecular FormulaC20H32O4
Molecular Weight336.47 g/mol
Exact Mass336.23
IUPAC Name—
SMILESCC(C)(C)C1CC(O)CC2(C1)OOC1(O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C20H32O4/c1-18(2,3)16-9-17(21)11-19(10-16)22-20(24-23-19)14-5-12-4-13(7-14)8-15(20)6-12/h12-17,21H,4-11H2,1-3H3
InChIKeyHFOGXTZLQDOEFX-UHFFFAOYSA-N
XLogP4.02
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.47
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 123945374?
The IUPAC name of CID 123945374 (CID 123945374) is not available.
What is the SMILES notation for CID 123945374?
The canonical SMILES for CID 123945374 is CC(C)(C)C1CC(O)CC2(C1)OOC1(O2)C2CC3CC(C2)CC1C3.
What is the InChIKey of CID 123945374?
The InChIKey is HFOGXTZLQDOEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O4/c1-18(2,3)16-9-17(21)11-19(10-16)22-20(24-23-19)14-5-12-4-13(7-14)8-15(20)6-12/h12-17,21H,4-11H2,1-3H3.
What are the key properties of CID 123945374?
CID 123945374 has a molecular weight of 336.47 g/mol, XLogP of 4.02, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123945374 is sourced from PubChem (CID 123945374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).