CID 101182657

C20H26O4 — CID 101182657

IUPAC—
SMILESO=C1CC[C@]2(CC[C@@H]3C[C@H]4[C@H](C[C@H]5CC[C@@]6(CCC(=O)O6)[C@H]54)[C@@H]32)O1
InChIInChI=1S/C20H26O4/c21-15-3-7-19(23-15)5-1-11-9-13-14(17(11)19)10-12-2-6-20(18(12)13)8-4-16(22)24-20/h11-14,17-18H,1-10H2/t11-,12-,13+,14+,17-,18-,19-,20+/m1/s1
InChIKeyCLDGQFGYNUBURN-VVGUORSOSA-N
MW330.42 g/mol
LogP3.23
Rot. Bonds

About CID 101182657

CID 101182657 (PubChem CID 101182657) has the molecular formula C20H26O4 and a molecular weight of 330.42 g/mol.

Molecular Properties

Compound NameCID 101182657
PubChem CID101182657
Molecular FormulaC20H26O4
Molecular Weight330.42 g/mol
Exact Mass330.18
IUPAC Name—
SMILESO=C1CC[C@]2(CC[C@@H]3C[C@H]4[C@H](C[C@H]5CC[C@@]6(CCC(=O)O6)[C@H]54)[C@@H]32)O1
InChIInChI=1S/C20H26O4/c21-15-3-7-19(23-15)5-1-11-9-13-14(17(11)19)10-12-2-6-20(18(12)13)8-4-16(22)24-20/h11-14,17-18H,1-10H2/t11-,12-,13+,14+,17-,18-,19-,20+/m1/s1
InChIKeyCLDGQFGYNUBURN-VVGUORSOSA-N
XLogP3.23
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-hydroxy-7-methyl-1-oxaspiro[4.4]nonan-2-one
CID 122470158
3'-methylspiro[bicyclo[2.2.1]heptane-2,5'-oxolane]-2'-one;spiro[bicyclo[2.2.1]heptane-2,5'-oxolane]-2'-one
CID 177368222
(5S)-14',20'-dimethylspiro[oxolane-5,15'-pentacyclo[9.9.0.02,4.05,10.017,19]icos-5-ene]-2,7'-dione
CID 143600411
9-[7-(5-oxooxolan-2-yl)heptyl]-1-oxaspiro[4.4]nonan-2-one
CID 57286837
(1S,4R)-spiro[bicyclo[2.2.1]hept-2-ene-7,5'-oxolane]-2'-one
CID 10773325
CID 125035644
CID 125035644
(2R,4'R,11'R)-N,18'-dimethyl-5,15'-dioxospiro[oxolane-2,6'-pentacyclo[8.8.0.02,4.05,9.013,18]octadeca-1,13-diene]-11'-carboxamide
CID 142249620
3-methylbutyl (1R,2S,9R,10R,11R,14R,15S)-2-methyl-5,5'-dioxospiro[18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-ene-14,2'-oxolane]-9-carboxylate
CID 24764751
(3S)-1,7-dioxa-2-thiaspiro[2.4]heptan-6-one
CID 176528836
5-iodo-5-methyloxolan-2-one
CID 129281770
5-methoxy-6,6-dimethyloxan-2-one
CID 153365185
(4S,5R)-5-bromo-1-oxaspiro[3.5]nonan-2-one
CID 23250591

Frequently Asked Questions

What is the IUPAC name of CID 101182657?
The IUPAC name of CID 101182657 (CID 101182657) is not available.
What is the SMILES notation for CID 101182657?
The canonical SMILES for CID 101182657 is O=C1CC[C@]2(CC[C@@H]3C[C@H]4[C@H](C[C@H]5CC[C@@]6(CCC(=O)O6)[C@H]54)[C@@H]32)O1.
What is the InChIKey of CID 101182657?
The InChIKey is CLDGQFGYNUBURN-VVGUORSOSA-N. The full InChI is InChI=1S/C20H26O4/c21-15-3-7-19(23-15)5-1-11-9-13-14(17(11)19)10-12-2-6-20(18(12)13)8-4-16(22)24-20/h11-14,17-18H,1-10H2/t11-,12-,13+,14+,17-,18-,19-,20+/m1/s1.
What are the key properties of CID 101182657?
CID 101182657 has a molecular weight of 330.42 g/mol, XLogP of 3.23, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101182657 is sourced from PubChem (CID 101182657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).