CID 10882537

C22H34O3 — CID 10882537

IUPAC—
SMILESC[C@]12CC[C@]3(CO3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCC21OCCO1
InChIInChI=1S/C22H34O3/c1-19-9-10-21(14-25-21)13-15(19)3-4-16-17(19)5-7-20(2)18(16)6-8-22(20)23-11-12-24-22/h15-18H,3-14H2,1-2H3/t15-,16+,17-,18-,19-,20-,21+/m0/s1
InChIKeyFRWRJOCKERCELP-GCOKGBOCSA-N
MW346.51 g/mol
LogP4.54
Rot. Bonds

About CID 10882537

CID 10882537 (PubChem CID 10882537) has the molecular formula C22H34O3 and a molecular weight of 346.51 g/mol.

Molecular Properties

Compound NameCID 10882537
PubChem CID10882537
Molecular FormulaC22H34O3
Molecular Weight346.51 g/mol
Exact Mass346.25
IUPAC Name—
SMILESC[C@]12CC[C@]3(CO3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCC21OCCO1
InChIInChI=1S/C22H34O3/c1-19-9-10-21(14-25-21)13-15(19)3-4-16-17(19)5-7-20(2)18(16)6-8-22(20)23-11-12-24-22/h15-18H,3-14H2,1-2H3/t15-,16+,17-,18-,19-,20-,21+/m0/s1
InChIKeyFRWRJOCKERCELP-GCOKGBOCSA-N
XLogP4.54
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.51
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 10882537?
The IUPAC name of CID 10882537 (CID 10882537) is not available.
What is the SMILES notation for CID 10882537?
The canonical SMILES for CID 10882537 is C[C@]12CC[C@]3(CO3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCC21OCCO1.
What is the InChIKey of CID 10882537?
The InChIKey is FRWRJOCKERCELP-GCOKGBOCSA-N. The full InChI is InChI=1S/C22H34O3/c1-19-9-10-21(14-25-21)13-15(19)3-4-16-17(19)5-7-20(2)18(16)6-8-22(20)23-11-12-24-22/h15-18H,3-14H2,1-2H3/t15-,16+,17-,18-,19-,20-,21+/m0/s1.
What are the key properties of CID 10882537?
CID 10882537 has a molecular weight of 346.51 g/mol, XLogP of 4.54, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10882537 is sourced from PubChem (CID 10882537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).