CID 71579374

C20H32O4 — CID 71579374

IUPAC—
SMILESC[C@@H]1C[C@@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@]1(COC(=O)C1)O2
InChIInChI=1S/C20H32O4/c1-13-10-14(21)16-17(2,3)6-5-7-18(16,4)20(13)9-8-19(24-20)11-15(22)23-12-19/h13-14,16,21H,5-12H2,1-4H3/t13-,14-,16+,18+,19+,20-/m1/s1
InChIKeyLANSFGIUBQOYBY-AUDZOWGFSA-N
MW336.47 g/mol
LogP3.45
Rot. Bonds

About CID 71579374

CID 71579374 (PubChem CID 71579374) has the molecular formula C20H32O4 and a molecular weight of 336.47 g/mol.

Molecular Properties

Compound NameCID 71579374
PubChem CID71579374
Molecular FormulaC20H32O4
Molecular Weight336.47 g/mol
Exact Mass336.23
IUPAC Name—
SMILESC[C@@H]1C[C@@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@]1(COC(=O)C1)O2
InChIInChI=1S/C20H32O4/c1-13-10-14(21)16-17(2,3)6-5-7-18(16,4)20(13)9-8-19(24-20)11-15(22)23-12-19/h13-14,16,21H,5-12H2,1-4H3/t13-,14-,16+,18+,19+,20-/m1/s1
InChIKeyLANSFGIUBQOYBY-AUDZOWGFSA-N
XLogP3.45
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.47
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 71579374?
The IUPAC name of CID 71579374 (CID 71579374) is not available.
What is the SMILES notation for CID 71579374?
The canonical SMILES for CID 71579374 is C[C@@H]1C[C@@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@]1(COC(=O)C1)O2.
What is the InChIKey of CID 71579374?
The InChIKey is LANSFGIUBQOYBY-AUDZOWGFSA-N. The full InChI is InChI=1S/C20H32O4/c1-13-10-14(21)16-17(2,3)6-5-7-18(16,4)20(13)9-8-19(24-20)11-15(22)23-12-19/h13-14,16,21H,5-12H2,1-4H3/t13-,14-,16+,18+,19+,20-/m1/s1.
What are the key properties of CID 71579374?
CID 71579374 has a molecular weight of 336.47 g/mol, XLogP of 3.45, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71579374 is sourced from PubChem (CID 71579374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).