CID 46883139

C20H30O5 — CID 46883139

IUPAC—
SMILESC[C@@H]1C[C@H]2OC(=O)[C@@]3(C)CCC[C@@](C)([C@@H]23)[C@@]12CC[C@@]1(CO[C@H](O)C1)O2
InChIInChI=1S/C20H30O5/c1-12-9-13-15-17(2,16(22)24-13)5-4-6-18(15,3)20(12)8-7-19(25-20)10-14(21)23-11-19/h12-15,21H,4-11H2,1-3H3/t12-,13-,14+,15+,17+,18+,19-,20-/m1/s1
InChIKeyIACFKHAQKGTVTR-ZMHZDYMXSA-N
MW350.46 g/mol
LogP2.79
Rot. Bonds

About CID 46883139

CID 46883139 (PubChem CID 46883139) has the molecular formula C20H30O5 and a molecular weight of 350.46 g/mol.

Molecular Properties

Compound NameCID 46883139
PubChem CID46883139
Molecular FormulaC20H30O5
Molecular Weight350.46 g/mol
Exact Mass350.21
IUPAC Name—
SMILESC[C@@H]1C[C@H]2OC(=O)[C@@]3(C)CCC[C@@](C)([C@@H]23)[C@@]12CC[C@@]1(CO[C@H](O)C1)O2
InChIInChI=1S/C20H30O5/c1-12-9-13-15-17(2,16(22)24-13)5-4-6-18(15,3)20(12)8-7-19(25-20)10-14(21)23-11-19/h12-15,21H,4-11H2,1-3H3/t12-,13-,14+,15+,17+,18+,19-,20-/m1/s1
InChIKeyIACFKHAQKGTVTR-ZMHZDYMXSA-N
XLogP2.79
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 46883139?
The IUPAC name of CID 46883139 (CID 46883139) is not available.
What is the SMILES notation for CID 46883139?
The canonical SMILES for CID 46883139 is C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)CCC[C@@](C)([C@@H]23)[C@@]12CC[C@@]1(CO[C@H](O)C1)O2.
What is the InChIKey of CID 46883139?
The InChIKey is IACFKHAQKGTVTR-ZMHZDYMXSA-N. The full InChI is InChI=1S/C20H30O5/c1-12-9-13-15-17(2,16(22)24-13)5-4-6-18(15,3)20(12)8-7-19(25-20)10-14(21)23-11-19/h12-15,21H,4-11H2,1-3H3/t12-,13-,14+,15+,17+,18+,19-,20-/m1/s1.
What are the key properties of CID 46883139?
CID 46883139 has a molecular weight of 350.46 g/mol, XLogP of 2.79, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 46883139 is sourced from PubChem (CID 46883139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).