CID 10959052

C20H30O5 — CID 10959052

IUPAC—
SMILESCOC(C)(C)[C@@H]1OC2(CC[C@@H]3C2=CC(=O)C32CC2)O[C@H]1C(C)(C)OC
InChIInChI=1S/C20H30O5/c1-17(2,22-5)15-16(18(3,4)23-6)25-20(24-15)8-7-12-13(20)11-14(21)19(12)9-10-19/h11-12,15-16H,7-10H2,1-6H3/t12-,15-,16-/m1/s1
InChIKeyXHJWFEVZHSQIDN-DAXOMENPSA-N
MW350.46 g/mol
LogP3.02
Rot. Bonds4

About CID 10959052

CID 10959052 (PubChem CID 10959052) has the molecular formula C20H30O5 and a molecular weight of 350.46 g/mol.

Molecular Properties

Compound NameCID 10959052
PubChem CID10959052
Molecular FormulaC20H30O5
Molecular Weight350.46 g/mol
Exact Mass350.21
IUPAC Name—
SMILESCOC(C)(C)[C@@H]1OC2(CC[C@@H]3C2=CC(=O)C32CC2)O[C@H]1C(C)(C)OC
InChIInChI=1S/C20H30O5/c1-17(2,22-5)15-16(18(3,4)23-6)25-20(24-15)8-7-12-13(20)11-14(21)19(12)9-10-19/h11-12,15-16H,7-10H2,1-6H3/t12-,15-,16-/m1/s1
InChIKeyXHJWFEVZHSQIDN-DAXOMENPSA-N
XLogP3.02
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 10959052?
The IUPAC name of CID 10959052 (CID 10959052) is not available.
What is the SMILES notation for CID 10959052?
The canonical SMILES for CID 10959052 is COC(C)(C)[C@@H]1OC2(CC[C@@H]3C2=CC(=O)C32CC2)O[C@H]1C(C)(C)OC.
What is the InChIKey of CID 10959052?
The InChIKey is XHJWFEVZHSQIDN-DAXOMENPSA-N. The full InChI is InChI=1S/C20H30O5/c1-17(2,22-5)15-16(18(3,4)23-6)25-20(24-15)8-7-12-13(20)11-14(21)19(12)9-10-19/h11-12,15-16H,7-10H2,1-6H3/t12-,15-,16-/m1/s1.
What are the key properties of CID 10959052?
CID 10959052 has a molecular weight of 350.46 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10959052 is sourced from PubChem (CID 10959052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).