CID 163188497

C20H28O6 — CID 163188497

IUPAC—
SMILESC[C@@H]1C[C@H]2OC(=O)[C@@]3(C)C(=O)CC[C@@](C)([C@@H]23)[C@@]12CC[C@]1(CC[C@@H](O)O1)O2
InChIInChI=1S/C20H28O6/c1-11-10-12-15-17(2,6-4-13(21)18(15,3)16(23)24-12)20(11)9-8-19(26-20)7-5-14(22)25-19/h11-12,14-15,22H,4-10H2,1-3H3/t11-,12-,14+,15-,17+,18+,19+,20-/m1/s1
InChIKeyYIBHQGQRCRBQAM-JLSIPVCBSA-N
MW364.44 g/mol
LogP2.32
Rot. Bonds

About CID 163188497

CID 163188497 (PubChem CID 163188497) has the molecular formula C20H28O6 and a molecular weight of 364.44 g/mol.

Molecular Properties

Compound NameCID 163188497
PubChem CID163188497
Molecular FormulaC20H28O6
Molecular Weight364.44 g/mol
Exact Mass364.19
IUPAC Name—
SMILESC[C@@H]1C[C@H]2OC(=O)[C@@]3(C)C(=O)CC[C@@](C)([C@@H]23)[C@@]12CC[C@]1(CC[C@@H](O)O1)O2
InChIInChI=1S/C20H28O6/c1-11-10-12-15-17(2,6-4-13(21)18(15,3)16(23)24-12)20(11)9-8-19(26-20)7-5-14(22)25-19/h11-12,14-15,22H,4-10H2,1-3H3/t11-,12-,14+,15-,17+,18+,19+,20-/m1/s1
InChIKeyYIBHQGQRCRBQAM-JLSIPVCBSA-N
XLogP2.32
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 163188497?
The IUPAC name of CID 163188497 (CID 163188497) is not available.
What is the SMILES notation for CID 163188497?
The canonical SMILES for CID 163188497 is C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)C(=O)CC[C@@](C)([C@@H]23)[C@@]12CC[C@]1(CC[C@@H](O)O1)O2.
What is the InChIKey of CID 163188497?
The InChIKey is YIBHQGQRCRBQAM-JLSIPVCBSA-N. The full InChI is InChI=1S/C20H28O6/c1-11-10-12-15-17(2,6-4-13(21)18(15,3)16(23)24-12)20(11)9-8-19(26-20)7-5-14(22)25-19/h11-12,14-15,22H,4-10H2,1-3H3/t11-,12-,14+,15-,17+,18+,19+,20-/m1/s1.
What are the key properties of CID 163188497?
CID 163188497 has a molecular weight of 364.44 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163188497 is sourced from PubChem (CID 163188497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).