CID 162954999

C20H26O6 — CID 162954999

IUPAC—
SMILESC[C@@H]1C[C@H]2OC(=O)[C@@]3(C)C(=O)CC[C@](C)([C@@H]23)[C@@]12CC[C@]1(COC(=O)C1)O2
InChIInChI=1S/C20H26O6/c1-11-8-12-15-17(2,5-4-13(21)18(15,3)16(23)25-12)20(11)7-6-19(26-20)9-14(22)24-10-19/h11-12,15H,4-10H2,1-3H3/t11-,12-,15-,17-,18+,19+,20-/m1/s1
InChIKeyIKNNBDGBGVLCJD-LMKLAQKLSA-N
MW362.42 g/mol
LogP2.18
Rot. Bonds

About CID 162954999

CID 162954999 (PubChem CID 162954999) has the molecular formula C20H26O6 and a molecular weight of 362.42 g/mol.

Molecular Properties

Compound NameCID 162954999
PubChem CID162954999
Molecular FormulaC20H26O6
Molecular Weight362.42 g/mol
Exact Mass362.17
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(COC(=O)C1)O2
InChIInChI=1S/C20H26O6/c1-11-8-12-15-17(2,5-4-13(21)18(15,3)16(23)25-12)20(11)7-6-19(26-20)9-14(22)24-10-19/h11-12,15H,4-10H2,1-3H3/t11-,12-,15-,17-,18+,19+,20-/m1/s1
InChIKeyIKNNBDGBGVLCJD-LMKLAQKLSA-N
XLogP2.18
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 52.18
H-Bond Donors ≤ 50
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 162954999?
The IUPAC name of CID 162954999 (CID 162954999) is not available.
What is the SMILES notation for CID 162954999?
The canonical SMILES for CID 162954999 is C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)C(=O)CC[C@](C)([C@@H]23)[C@@]12CC[C@]1(COC(=O)C1)O2.
What is the InChIKey of CID 162954999?
The InChIKey is IKNNBDGBGVLCJD-LMKLAQKLSA-N. The full InChI is InChI=1S/C20H26O6/c1-11-8-12-15-17(2,5-4-13(21)18(15,3)16(23)25-12)20(11)7-6-19(26-20)9-14(22)24-10-19/h11-12,15H,4-10H2,1-3H3/t11-,12-,15-,17-,18+,19+,20-/m1/s1.
What are the key properties of CID 162954999?
CID 162954999 has a molecular weight of 362.42 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162954999 is sourced from PubChem (CID 162954999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).