CID 162964843

C20H28O4 — CID 162964843

IUPAC—
SMILESC[C@@H]1C[C@H]2OC(=O)[C@@]3(C)CCC[C@@](C)([C@H]23)[C@@]12CC[C@@]1(C=COC1)O2
InChIInChI=1S/C20H28O4/c1-13-11-14-15-17(2,16(21)23-14)5-4-6-18(15,3)20(13)8-7-19(24-20)9-10-22-12-19/h9-10,13-15H,4-8,11-12H2,1-3H3/t13-,14-,15-,17+,18+,19+,20-/m1/s1
InChIKeyOQLCWZJEAYGVQE-PYMHPSGOSA-N
MW332.44 g/mol
LogP3.60
Rot. Bonds

About CID 162964843

CID 162964843 (PubChem CID 162964843) has the molecular formula C20H28O4 and a molecular weight of 332.44 g/mol.

Molecular Properties

Compound NameCID 162964843
PubChem CID162964843
Molecular FormulaC20H28O4
Molecular Weight332.44 g/mol
Exact Mass332.20
IUPAC Name—
SMILESC[C@@H]1C[C@H]2OC(=O)[C@@]3(C)CCC[C@@](C)([C@H]23)[C@@]12CC[C@@]1(C=COC1)O2
InChIInChI=1S/C20H28O4/c1-13-11-14-15-17(2,16(21)23-14)5-4-6-18(15,3)20(13)8-7-19(24-20)9-10-22-12-19/h9-10,13-15H,4-8,11-12H2,1-3H3/t13-,14-,15-,17+,18+,19+,20-/m1/s1
InChIKeyOQLCWZJEAYGVQE-PYMHPSGOSA-N
XLogP3.60
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 162888514
(1S,4S,8R,9R,10S,12R)-9-[2-(furan-3-yl)ethyl]-9-hydroxy-4,8,10-trimethyl-2-oxatricyclo[6.3.1.04,12]dodecan-3-one
CID 162845938
(1R,4S,8S,9R,10R,12R)-9-[2-(2,5-diethoxy-2,5-dihydrofuran-3-yl)ethyl]-9-hydroxy-4,8,10-trimethyl-2-oxatricyclo[6.3.1.04,12]dodecan-3-one
CID 138978682
(1R,4S,8R,9R,10R)-9-[2-(2-cycloheptyloxolan-3-yl)ethyl]-9-hydroxy-4,8,10-trimethyl-2-oxatricyclo[6.3.1.04,12]dodecan-3-one
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(1S,4R,8S)-4,8-dimethyl-2-oxatricyclo[6.3.1.04,12]dodecane-3,9-dione
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5'-(2-hydroxyethyl)-5'-(hydroxymethyl)-3,4a,8,8-tetramethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxolane]-1-ol
CID 162992918
CID 101077826
CID 101077826

Frequently Asked Questions

What is the IUPAC name of CID 162964843?
The IUPAC name of CID 162964843 (CID 162964843) is not available.
What is the SMILES notation for CID 162964843?
The canonical SMILES for CID 162964843 is C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)CCC[C@@](C)([C@H]23)[C@@]12CC[C@@]1(C=COC1)O2.
What is the InChIKey of CID 162964843?
The InChIKey is OQLCWZJEAYGVQE-PYMHPSGOSA-N. The full InChI is InChI=1S/C20H28O4/c1-13-11-14-15-17(2,16(21)23-14)5-4-6-18(15,3)20(13)8-7-19(24-20)9-10-22-12-19/h9-10,13-15H,4-8,11-12H2,1-3H3/t13-,14-,15-,17+,18+,19+,20-/m1/s1.
What are the key properties of CID 162964843?
CID 162964843 has a molecular weight of 332.44 g/mol, XLogP of 3.60, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162964843 is sourced from PubChem (CID 162964843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).