CID 134934812

C23H31FO5 — CID 134934812

IUPAC—
SMILESC[C@]12CCC(=O)C=C1CC[C@H]1[C@H]3C[C@@H](F)[C@@]4(OCO[C@@]45COCO5)[C@@]3(C)CC[C@@H]12
InChIInChI=1S/C23H31FO5/c1-20-7-5-15(25)9-14(20)3-4-16-17(20)6-8-21(2)18(16)10-19(24)23(21)22(28-13-29-23)11-26-12-27-22/h9,16-19H,3-8,10-13H2,1-2H3/t16-,17+,18-,19-,20+,21+,22+,23-/m1/s1
InChIKeyDUZDHQGHFJXJSZ-YUQVHUSTSA-N
MW406.49 g/mol
LogP3.91
Rot. Bonds

About CID 134934812

CID 134934812 (PubChem CID 134934812) has the molecular formula C23H31FO5 and a molecular weight of 406.49 g/mol.

Molecular Properties

Compound NameCID 134934812
PubChem CID134934812
Molecular FormulaC23H31FO5
Molecular Weight406.49 g/mol
Exact Mass406.22
IUPAC Name—
SMILESC[C@]12CCC(=O)C=C1CC[C@H]1[C@H]3C[C@@H](F)[C@@]4(OCO[C@@]45COCO5)[C@@]3(C)CC[C@@H]12
InChIInChI=1S/C23H31FO5/c1-20-7-5-15(25)9-14(20)3-4-16-17(20)6-8-21(2)18(16)10-19(24)23(21)22(28-13-29-23)11-26-12-27-22/h9,16-19H,3-8,10-13H2,1-2H3/t16-,17+,18-,19-,20+,21+,22+,23-/m1/s1
InChIKeyDUZDHQGHFJXJSZ-YUQVHUSTSA-N
XLogP3.91
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 134934812?
The IUPAC name of CID 134934812 (CID 134934812) is not available.
What is the SMILES notation for CID 134934812?
The canonical SMILES for CID 134934812 is C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]3C[C@@H](F)[C@@]4(OCO[C@@]45COCO5)[C@@]3(C)CC[C@@H]12.
What is the InChIKey of CID 134934812?
The InChIKey is DUZDHQGHFJXJSZ-YUQVHUSTSA-N. The full InChI is InChI=1S/C23H31FO5/c1-20-7-5-15(25)9-14(20)3-4-16-17(20)6-8-21(2)18(16)10-19(24)23(21)22(28-13-29-23)11-26-12-27-22/h9,16-19H,3-8,10-13H2,1-2H3/t16-,17+,18-,19-,20+,21+,22+,23-/m1/s1.
What are the key properties of CID 134934812?
CID 134934812 has a molecular weight of 406.49 g/mol, XLogP of 3.91, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134934812 is sourced from PubChem (CID 134934812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).