CID 52937390

C18H23O7 — CID 52937390

IUPAC—
SMILESCC1(C)O[C@H]2[C@@H](O1)[C@@H](COC(=O)[C]1[CH][CH][CH][CH]1)O[C@@H]1OC(C)(C)O[C@@H]12
InChIInChI=1S/C18H23O7/c1-17(2)22-12-11(9-20-15(19)10-7-5-6-8-10)21-16-14(13(12)23-17)24-18(3,4)25-16/h5-8,11-14,16H,9H2,1-4H3/t11-,12+,13+,14-,16-/m1/s1
InChIKeyUEXCIOXLPHOVCW-WZYWGQKZSA-N
MW351.38 g/mol
LogP1.33
Rot. Bonds3

About CID 52937390

CID 52937390 (PubChem CID 52937390) has the molecular formula C18H23O7 and a molecular weight of 351.38 g/mol.

Molecular Properties

Compound NameCID 52937390
PubChem CID52937390
Molecular FormulaC18H23O7
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC Name—
SMILESCC1(C)O[C@H]2[C@@H](O1)[C@@H](COC(=O)[C]1[CH][CH][CH][CH]1)O[C@@H]1OC(C)(C)O[C@@H]12
InChIInChI=1S/C18H23O7/c1-17(2)22-12-11(9-20-15(19)10-7-5-6-8-10)21-16-14(13(12)23-17)24-18(3,4)25-16/h5-8,11-14,16H,9H2,1-4H3/t11-,12+,13+,14-,16-/m1/s1
InChIKeyUEXCIOXLPHOVCW-WZYWGQKZSA-N
XLogP1.33
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze CID 52937390 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1S,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methyl propanoate
CID 66694118
[(1S,2R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methyl 2-methylprop-2-enoate
CID 22826609
[(1S,2R,6S,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methyl 2-methylprop-2-enoate
CID 122376222
[(1S,2R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methyl decanoate
CID 91697753
[(1R,2R,6R,8S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methyl dodecanoate
CID 100911354
[(1R,2R,6R,8S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methyl octadecanoate
CID 99733251
[(1R,2R,6R,8S,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methyl dodecanoate
CID 124766286
(2R,6R,8R)-8-(methoxymethyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
CID 134973745
(1R,2R,6S,8S,9R)-8-(methoxymethyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
CID 11896203
[(6R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methyl 2-oxochromene-3-carboxylate
CID 135015021
[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methyl dihydrogen phosphate
CID 11221476
ethyl 4-methylcyclopenta-1,3-diene-1-carboxylate;(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methyl cyclopenta-1,3-diene-1-carboxylate
CID 159861698

Frequently Asked Questions

What is the IUPAC name of CID 52937390?
The IUPAC name of CID 52937390 (CID 52937390) is not available.
What is the SMILES notation for CID 52937390?
The canonical SMILES for CID 52937390 is CC1(C)O[C@H]2[C@@H](O1)[C@@H](COC(=O)[C]1[CH][CH][CH][CH]1)O[C@@H]1OC(C)(C)O[C@@H]12.
What is the InChIKey of CID 52937390?
The InChIKey is UEXCIOXLPHOVCW-WZYWGQKZSA-N. The full InChI is InChI=1S/C18H23O7/c1-17(2)22-12-11(9-20-15(19)10-7-5-6-8-10)21-16-14(13(12)23-17)24-18(3,4)25-16/h5-8,11-14,16H,9H2,1-4H3/t11-,12+,13+,14-,16-/m1/s1.
What are the key properties of CID 52937390?
CID 52937390 has a molecular weight of 351.38 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 52937390 is sourced from PubChem (CID 52937390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).