CID 145498761

C32H50O4 — CID 145498761

IUPAC—
SMILESCO[C@@H]1CCC23C(CC[C@@H]4[C@]2(CCC2(C)[C@@]4(C)CC[C@@]24OC2(CC(C)C(=O)O2)C[C@H]4C)[C@@H]3C)C1(C)C
InChIInChI=1S/C32H50O4/c1-19-17-29(35-25(19)33)18-20(2)32(36-29)16-13-27(6)23-10-9-22-26(4,5)24(34-8)11-12-30(22)21(3)31(23,30)15-14-28(27,32)7/h19-24H,9-18H2,1-8H3/t19?,20-,21-,22?,23+,24-,27+,28?,29?,30?,31+,32+/m1/s1
InChIKeyLOHFHYPEYQBXIY-UQNVTJCGSA-N
MW498.75 g/mol
LogP7.14
Rot. Bonds1

About CID 145498761

CID 145498761 (PubChem CID 145498761) has the molecular formula C32H50O4 and a molecular weight of 498.75 g/mol.

Molecular Properties

Compound NameCID 145498761
PubChem CID145498761
Molecular FormulaC32H50O4
Molecular Weight498.75 g/mol
Exact Mass498.37
IUPAC Name—
SMILESCO[C@@H]1CCC23C(CC[C@@H]4[C@]2(CCC2(C)[C@@]4(C)CC[C@@]24OC2(CC(C)C(=O)O2)C[C@H]4C)[C@@H]3C)C1(C)C
InChIInChI=1S/C32H50O4/c1-19-17-29(35-25(19)33)18-20(2)32(36-29)16-13-27(6)23-10-9-22-26(4,5)24(34-8)11-12-30(22)21(3)31(23,30)15-14-28(27,32)7/h19-24H,9-18H2,1-8H3/t19?,20-,21-,22?,23+,24-,27+,28?,29?,30?,31+,32+/m1/s1
InChIKeyLOHFHYPEYQBXIY-UQNVTJCGSA-N
XLogP7.14
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.75
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 145498761?
The IUPAC name of CID 145498761 (CID 145498761) is not available.
What is the SMILES notation for CID 145498761?
The canonical SMILES for CID 145498761 is CO[C@@H]1CCC23C(CC[C@@H]4[C@]2(CCC2(C)[C@@]4(C)CC[C@@]24OC2(CC(C)C(=O)O2)C[C@H]4C)[C@@H]3C)C1(C)C.
What is the InChIKey of CID 145498761?
The InChIKey is LOHFHYPEYQBXIY-UQNVTJCGSA-N. The full InChI is InChI=1S/C32H50O4/c1-19-17-29(35-25(19)33)18-20(2)32(36-29)16-13-27(6)23-10-9-22-26(4,5)24(34-8)11-12-30(22)21(3)31(23,30)15-14-28(27,32)7/h19-24H,9-18H2,1-8H3/t19?,20-,21-,22?,23+,24-,27+,28?,29?,30?,31+,32+/m1/s1.
What are the key properties of CID 145498761?
CID 145498761 has a molecular weight of 498.75 g/mol, XLogP of 7.14, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 145498761 is sourced from PubChem (CID 145498761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).