CID 163076817

C22H36O4 — CID 163076817

IUPAC—
SMILESCO[C@H]1C[C@@]2(CC[C@@]3(O2)[C@H](C)C(=O)[C@@H](C)[C@H]2C(C)(C)CCC[C@@]23C)CO1
InChIInChI=1S/C22H36O4/c1-14-17(23)15(2)22(20(5)9-7-8-19(3,4)18(14)20)11-10-21(26-22)12-16(24-6)25-13-21/h14-16,18H,7-13H2,1-6H3/t14-,15-,16-,18+,20+,21+,22-/m1/s1
InChIKeyUPPVCQPPDGQFKZ-KCWVLWEZSA-N
MW364.53 g/mol
LogP4.35
Rot. Bonds1

About CID 163076817

CID 163076817 (PubChem CID 163076817) has the molecular formula C22H36O4 and a molecular weight of 364.53 g/mol.

Molecular Properties

Compound NameCID 163076817
PubChem CID163076817
Molecular FormulaC22H36O4
Molecular Weight364.53 g/mol
Exact Mass364.26
IUPAC Name—
SMILESCO[C@H]1C[C@@]2(CC[C@@]3(O2)[C@H](C)C(=O)[C@@H](C)[C@H]2C(C)(C)CCC[C@@]23C)CO1
InChIInChI=1S/C22H36O4/c1-14-17(23)15(2)22(20(5)9-7-8-19(3,4)18(14)20)11-10-21(26-22)12-16(24-6)25-13-21/h14-16,18H,7-13H2,1-6H3/t14-,15-,16-,18+,20+,21+,22-/m1/s1
InChIKeyUPPVCQPPDGQFKZ-KCWVLWEZSA-N
XLogP4.35
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 163076817?
The IUPAC name of CID 163076817 (CID 163076817) is not available.
What is the SMILES notation for CID 163076817?
The canonical SMILES for CID 163076817 is CO[C@H]1C[C@@]2(CC[C@@]3(O2)[C@H](C)C(=O)[C@@H](C)[C@H]2C(C)(C)CCC[C@@]23C)CO1.
What is the InChIKey of CID 163076817?
The InChIKey is UPPVCQPPDGQFKZ-KCWVLWEZSA-N. The full InChI is InChI=1S/C22H36O4/c1-14-17(23)15(2)22(20(5)9-7-8-19(3,4)18(14)20)11-10-21(26-22)12-16(24-6)25-13-21/h14-16,18H,7-13H2,1-6H3/t14-,15-,16-,18+,20+,21+,22-/m1/s1.
What are the key properties of CID 163076817?
CID 163076817 has a molecular weight of 364.53 g/mol, XLogP of 4.35, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163076817 is sourced from PubChem (CID 163076817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).