CID 118320448

C20H32O4 — CID 118320448

IUPAC—
SMILESCC(C)(C)[C@H]1C[C@H](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/t12?,13?,14?,15?,16-,17-,19?,20?/m0/s1
InChIKeyHFOGXTZLQDOEFX-DXFVOQEXSA-N
MW336.47 g/mol
LogP4.02
Rot. Bonds

About CID 118320448

CID 118320448 (PubChem CID 118320448) has the molecular formula C20H32O4 and a molecular weight of 336.47 g/mol.

Molecular Properties

Compound NameCID 118320448
PubChem CID118320448
Molecular FormulaC20H32O4
Molecular Weight336.47 g/mol
Exact Mass336.23
IUPAC Name—
SMILESCC(C)(C)[C@H]1C[C@H](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/t12?,13?,14?,15?,16-,17-,19?,20?/m0/s1
InChIKeyHFOGXTZLQDOEFX-DXFVOQEXSA-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 118320448?
The IUPAC name of CID 118320448 (CID 118320448) is not available.
What is the SMILES notation for CID 118320448?
The canonical SMILES for CID 118320448 is CC(C)(C)[C@H]1C[C@H](O)CC2(C1)OOC1(O2)C2CC3CC(C2)CC1C3.
What is the InChIKey of CID 118320448?
The InChIKey is HFOGXTZLQDOEFX-DXFVOQEXSA-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/t12?,13?,14?,15?,16-,17-,19?,20?/m0/s1.
What are the key properties of CID 118320448?
CID 118320448 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 118320448 is sourced from PubChem (CID 118320448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).