CID 163017684

C32H48O5 — CID 163017684

IUPAC—
SMILESCC(=O)OC1CCC23CC24CCC2C5(CCC2(C)C4(C)CCC3C1(C)C)OC1(CC(C)C(=O)O1)CC5C
InChIInChI=1S/C32H48O5/c1-19-16-31(36-25(19)34)17-20(2)32(37-31)15-14-27(6)23(32)9-13-30-18-29(30)12-10-24(35-21(3)33)26(4,5)22(29)8-11-28(27,30)7/h19-20,22-24H,8-18H2,1-7H3
InChIKeyNPJAFWGCVZLGLX-UHFFFAOYSA-N
MW512.73 g/mol
LogP6.82
Rot. Bonds1

About CID 163017684

CID 163017684 (PubChem CID 163017684) has the molecular formula C32H48O5 and a molecular weight of 512.73 g/mol.

Molecular Properties

Compound NameCID 163017684
PubChem CID163017684
Molecular FormulaC32H48O5
Molecular Weight512.73 g/mol
Exact Mass512.35
IUPAC Name—
SMILESCC(=O)OC1CCC23CC24CCC2C5(CCC2(C)C4(C)CCC3C1(C)C)OC1(CC(C)C(=O)O1)CC5C
InChIInChI=1S/C32H48O5/c1-19-16-31(36-25(19)34)17-20(2)32(37-31)15-14-27(6)23(32)9-13-30-18-29(30)12-10-24(35-21(3)33)26(4,5)22(29)8-11-28(27,30)7/h19-20,22-24H,8-18H2,1-7H3
InChIKeyNPJAFWGCVZLGLX-UHFFFAOYSA-N
XLogP6.82
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.73
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze CID 163017684 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

(6,7,10,13,14,18,18-heptamethyl-19-hexacyclo[12.9.0.01,22.04,13.05,10.017,22]tricosanyl) acetate
CID 163017877
[7,7,12,16-tetramethyl-15-[1-(4-methyl-5-oxooxolan-2-yl)propan-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate
CID 14807607
CID 145498761
CID 145498761
[(1S,3R,6S,12S,16R)-15-(2-iodoethyl)-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate
CID 89232810
[7,7,12,16-tetramethyl-15-[1-(4-methyl-5-oxo-2H-furan-2-yl)propan-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate
CID 162932878
[1,1,4a,6-tetramethyl-5'-(2-oxoethylidene)spiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxolane]-2-yl] acetate
CID 75146143
(6,10,10,14,15,21,21-heptamethyl-9-hexacyclo[16.4.1.01,18.02,15.05,14.06,11]tricosanyl) acetate
CID 3490789
(4R)-4-[(1S,3S,6S,8R,11S,12S,15R,16R)-6-acetyloxy-7,7,8,12,16-pentamethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]pentanoic acid
CID 163001080
[(1R,4R,5R,8R,10S,13R,14R,17R,18S,19S,20R,24S)-4,5,9,9,13,19,20-heptamethyl-24-(3-methyl-1,2,4,5-tetraoxaspiro[5.5]undecan-3-yl)-22-oxo-21-oxahexacyclo[18.2.2.01,18.04,17.05,14.08,13]tetracosan-10-yl] acetate
CID 155806018
[(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(1S)-1-[(2R,4S)-4-acetyloxy-5,5-dimethyloxolan-2-yl]ethyl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate
CID 10650169
[(1R,3R,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylhept-5-en-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate
CID 22211597
[(1R,4R,5R,8S,10S,13R,14S,17R,18S,19R)-4,5,9,9,13,20,20-heptamethyl-23-oxo-24-oxahexacyclo[17.3.2.01,18.04,17.05,14.08,13]tetracosan-10-yl] acetate
CID 51722329

Frequently Asked Questions

What is the IUPAC name of CID 163017684?
The IUPAC name of CID 163017684 (CID 163017684) is not available.
What is the SMILES notation for CID 163017684?
The canonical SMILES for CID 163017684 is CC(=O)OC1CCC23CC24CCC2C5(CCC2(C)C4(C)CCC3C1(C)C)OC1(CC(C)C(=O)O1)CC5C.
What is the InChIKey of CID 163017684?
The InChIKey is NPJAFWGCVZLGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H48O5/c1-19-16-31(36-25(19)34)17-20(2)32(37-31)15-14-27(6)23(32)9-13-30-18-29(30)12-10-24(35-21(3)33)26(4,5)22(29)8-11-28(27,30)7/h19-20,22-24H,8-18H2,1-7H3.
What are the key properties of CID 163017684?
CID 163017684 has a molecular weight of 512.73 g/mol, XLogP of 6.82, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163017684 is sourced from PubChem (CID 163017684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).