CID 124853650

C20H28O4 — CID 124853650

IUPAC—
SMILESCC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@]1(COC(=O)C1)O2
InChIInChI=1S/C20H28O4/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/h10,16H,5-9,11-12H2,1-4H3/t16-,18+,19+,20-/m1/s1
InChIKeySXOVHHHRXOYVGV-BTHPGYMESA-N
MW332.44 g/mol
LogP3.58
Rot. Bonds

About CID 124853650

CID 124853650 (PubChem CID 124853650) has the molecular formula C20H28O4 and a molecular weight of 332.44 g/mol.

Molecular Properties

Compound NameCID 124853650
PubChem CID124853650
Molecular FormulaC20H28O4
Molecular Weight332.44 g/mol
Exact Mass332.20
IUPAC Name—
SMILESCC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@]1(COC(=O)C1)O2
InChIInChI=1S/C20H28O4/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/h10,16H,5-9,11-12H2,1-4H3/t16-,18+,19+,20-/m1/s1
InChIKeySXOVHHHRXOYVGV-BTHPGYMESA-N
XLogP3.58
TPSA52.60 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 ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 162855372
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3-[2-[(1R,4aS,8aS)-1-hydroxy-2,5,5,8a-tetramethyl-4-oxo-4a,6,7,8-tetrahydronaphthalen-1-yl]ethyl]-2-hydroxy-2H-furan-5-one
CID 24795706
2-hydroxy-3-[2-(1-hydroxy-2,5,5,8a-tetramethyl-4-oxo-4a,6,7,8-tetrahydronaphthalen-1-yl)ethyl]-2H-furan-5-one
CID 74317234
CID 46883183
CID 46883183
2,6,6,15-tetramethyl-12,18-dioxatetracyclo[13.2.1.01,10.02,7]octadec-9-en-13-one
CID 163019419
3-[2-(2,5,5,8a-tetramethyl-4-oxo-4a,6,7,8-tetrahydro-1H-naphthalen-1-yl)ethyl]-2H-furan-5-one
CID 162967990
(7aR)-2-(1-hydroxyethyl)-4,4,7a-trimethyl-3a,5,6,7-tetrahydro-1-benzofuran-3-one
CID 91747315
2,5,5,8a-tetramethyl-4-methylidene-4a,6,7,8-tetrahydrochromene
CID 605619
5,9,9-trimethyl-15,17,20-trioxapentacyclo[12.5.1.01,16.04,13.05,10]icos-12-ene-11,18-dione
CID 162983196
4-[2-(2,5,5,8a-tetramethyl-4-oxo-4a,6,7,8-tetrahydro-1H-naphthalen-1-yl)ethyl]-2H-furan-5-one
CID 162859032
[(3R,4aR,5S,6R,6aR,10aS,10bR)-5-benzoyloxy-4a,6a,10b-trimethyl-7-methylidene-2'-oxospiro[1,2,5,6,8,9,10,10a-octahydrobenzo[f]chromene-3,4'-oxolane]-6-yl] benzoate
CID 10840565

Frequently Asked Questions

What is the IUPAC name of CID 124853650?
The IUPAC name of CID 124853650 (CID 124853650) is not available.
What is the SMILES notation for CID 124853650?
The canonical SMILES for CID 124853650 is CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@]1(COC(=O)C1)O2.
What is the InChIKey of CID 124853650?
The InChIKey is SXOVHHHRXOYVGV-BTHPGYMESA-N. The full InChI is InChI=1S/C20H28O4/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/h10,16H,5-9,11-12H2,1-4H3/t16-,18+,19+,20-/m1/s1.
What are the key properties of CID 124853650?
CID 124853650 has a molecular weight of 332.44 g/mol, XLogP of 3.58, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 124853650 is sourced from PubChem (CID 124853650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).