CID 101403654

C20H32O5 — CID 101403654

IUPAC—
SMILESC[C@@H]1CC(=O)[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@@]12CC[C@@]1(CCO[C@@H]1O)O2
InChIInChI=1S/C20H32O5/c1-12-11-13(21)15-17(2,3)14(22)5-6-18(15,4)20(12)8-7-19(25-20)9-10-24-16(19)23/h12,14-16,22-23H,5-11H2,1-4H3/t12-,14+,15+,16+,18+,19+,20-/m1/s1
InChIKeyPITIZJDONNHGKA-GWUXEJKESA-N
MW352.47 g/mol
LogP2.43
Rot. Bonds

About CID 101403654

CID 101403654 (PubChem CID 101403654) has the molecular formula C20H32O5 and a molecular weight of 352.47 g/mol.

Molecular Properties

Compound NameCID 101403654
PubChem CID101403654
Molecular FormulaC20H32O5
Molecular Weight352.47 g/mol
Exact Mass352.22
IUPAC Name—
SMILESC[C@@H]1CC(=O)[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@@]12CC[C@@]1(CCO[C@@H]1O)O2
InChIInChI=1S/C20H32O5/c1-12-11-13(21)15-17(2,3)14(22)5-6-18(15,4)20(12)8-7-19(25-20)9-10-24-16(19)23/h12,14-16,22-23H,5-11H2,1-4H3/t12-,14+,15+,16+,18+,19+,20-/m1/s1
InChIKeyPITIZJDONNHGKA-GWUXEJKESA-N
XLogP2.43
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.47
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 101403654?
The IUPAC name of CID 101403654 (CID 101403654) is not available.
What is the SMILES notation for CID 101403654?
The canonical SMILES for CID 101403654 is C[C@@H]1CC(=O)[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@@]12CC[C@@]1(CCO[C@@H]1O)O2.
What is the InChIKey of CID 101403654?
The InChIKey is PITIZJDONNHGKA-GWUXEJKESA-N. The full InChI is InChI=1S/C20H32O5/c1-12-11-13(21)15-17(2,3)14(22)5-6-18(15,4)20(12)8-7-19(25-20)9-10-24-16(19)23/h12,14-16,22-23H,5-11H2,1-4H3/t12-,14+,15+,16+,18+,19+,20-/m1/s1.
What are the key properties of CID 101403654?
CID 101403654 has a molecular weight of 352.47 g/mol, XLogP of 2.43, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101403654 is sourced from PubChem (CID 101403654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).