CID 138625623

C20H34O4 — CID 138625623

IUPAC—
SMILESCC1CC2CCCC(C2)C12OOC1(C[C@@H](O)C[C@H](C(C)(C)C)C1)O2
InChIInChI=1S/C20H34O4/c1-13-8-14-6-5-7-15(9-14)20(13)22-19(23-24-20)11-16(18(2,3)4)10-17(21)12-19/h13-17,21H,5-12H2,1-4H3/t13?,14?,15?,16-,17-,19?,20?/m0/s1
InChIKeyUSFKPOGZQGYCNG-BBLXNKIASA-N
MW338.49 g/mol
LogP4.41
Rot. Bonds

About CID 138625623

CID 138625623 (PubChem CID 138625623) has the molecular formula C20H34O4 and a molecular weight of 338.49 g/mol.

Molecular Properties

Compound NameCID 138625623
PubChem CID138625623
Molecular FormulaC20H34O4
Molecular Weight338.49 g/mol
Exact Mass338.25
IUPAC Name—
SMILESCC1CC2CCCC(C2)C12OOC1(C[C@@H](O)C[C@H](C(C)(C)C)C1)O2
InChIInChI=1S/C20H34O4/c1-13-8-14-6-5-7-15(9-14)20(13)22-19(23-24-20)11-16(18(2,3)4)10-17(21)12-19/h13-17,21H,5-12H2,1-4H3/t13?,14?,15?,16-,17-,19?,20?/m0/s1
InChIKeyUSFKPOGZQGYCNG-BBLXNKIASA-N
XLogP4.41
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 54.41
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 138625623?
The IUPAC name of CID 138625623 (CID 138625623) is not available.
What is the SMILES notation for CID 138625623?
The canonical SMILES for CID 138625623 is CC1CC2CCCC(C2)C12OOC1(C[C@@H](O)C[C@H](C(C)(C)C)C1)O2.
What is the InChIKey of CID 138625623?
The InChIKey is USFKPOGZQGYCNG-BBLXNKIASA-N. The full InChI is InChI=1S/C20H34O4/c1-13-8-14-6-5-7-15(9-14)20(13)22-19(23-24-20)11-16(18(2,3)4)10-17(21)12-19/h13-17,21H,5-12H2,1-4H3/t13?,14?,15?,16-,17-,19?,20?/m0/s1.
What are the key properties of CID 138625623?
CID 138625623 has a molecular weight of 338.49 g/mol, XLogP of 4.41, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 138625623 is sourced from PubChem (CID 138625623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).