(6,7,10,13,14,18,18-heptamethyl-19-hexacyclo[12.9.0.01,22.04,13.05,10.017,22]tricosanyl) acetate

C32H52O2 — CID 163017877

IUPAC(6,7,10,13,14,18,18-heptamethyl-19-hexacyclo[12.9.0.01,22.04,13.05,10.017,22]tricosanyl) acetate
SMILESCC(=O)OC1CCC23CC24CCC2C5C(C)C(C)CCC5(C)CCC2(C)C4(C)CCC3C1(C)C
InChIInChI=1S/C32H52O2/c1-20-9-13-28(6)17-18-29(7)23(26(28)21(20)2)10-16-32-19-31(32)15-12-25(34-22(3)33)27(4,5)24(31)11-14-30(29,32)8/h20-21,23-26H,9-19H2,1-8H3
InChIKeyVOYFIPFXUCCCMN-UHFFFAOYSA-N
MW468.77 g/mol
LogP8.43
Rot. Bonds1

About (6,7,10,13,14,18,18-heptamethyl-19-hexacyclo[12.9.0.01,22.04,13.05,10.017,22]tricosanyl) acetate

(6,7,10,13,14,18,18-heptamethyl-19-hexacyclo[12.9.0.01,22.04,13.05,10.017,22]tricosanyl) acetate (PubChem CID 163017877) has the molecular formula C32H52O2 and a molecular weight of 468.77 g/mol. Its IUPAC name is (6,7,10,13,14,18,18-heptamethyl-19-hexacyclo[12.9.0.01,22.04,13.05,10.017,22]tricosanyl) acetate.

Molecular Properties

Compound Name(6,7,10,13,14,18,18-heptamethyl-19-hexacyclo[12.9.0.01,22.04,13.05,10.017,22]tricosanyl) acetate
PubChem CID163017877
Molecular FormulaC32H52O2
Molecular Weight468.77 g/mol
Exact Mass468.40
IUPAC Name(6,7,10,13,14,18,18-heptamethyl-19-hexacyclo[12.9.0.01,22.04,13.05,10.017,22]tricosanyl) acetate
SMILESCC(=O)OC1CCC23CC24CCC2C5C(C)C(C)CCC5(C)CCC2(C)C4(C)CCC3C1(C)C
InChIInChI=1S/C32H52O2/c1-20-9-13-28(6)17-18-29(7)23(26(28)21(20)2)10-16-32-19-31(32)15-12-25(34-22(3)33)27(4,5)24(31)11-14-30(29,32)8/h20-21,23-26H,9-19H2,1-8H3
InChIKeyVOYFIPFXUCCCMN-UHFFFAOYSA-N
XLogP8.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.77
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (6,7,10,13,14,18,18-heptamethyl-19-hexacyclo[12.9.0.01,22.04,13.05,10.017,22]tricosanyl) acetate 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

(13-acetyloxy-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,6a,7,8,9,10,11,12,12a,13,14,14a-hexadecahydro-1H-picen-3-yl) acetate
CID 538876
CID 163017684
CID 163017684
[(4aR,6aR,6aR,6bR,8aR,11R,12S,12aS,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-13-oxo-1,2,3,4a,5,6,6a,7,8,9,10,11,12,12a,14,14a-hexadecahydropicen-3-yl] acetate
CID 22215285
[(1R,3aR,5aR,5bR,9S,11aR)-1-acetyl-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] acetate
CID 91753083
[(3aR,5bR,9S,11aR,13aR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] acetate
CID 5319106
[(1R,3aS,5aR,5bS,7aS,9R,11aR,11bS,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] acetate
CID 124900261
[(1R,3aR,5aR,5bR,9S,11aR,13aS)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] acetate
CID 73440799
[(5aR,7aR,9R)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] acetate
CID 25199883
potassium;[(4aR,6aR,6aR,6bR,8aR,11R,12S,12aS,14aS,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-3-sulfanyl-2,3,4a,5,6,6a,7,8,9,10,11,12,12a,13,14,14a-hexadecahydro-1H-picen-1-yl] 2-methylprop-2-enoate;hydride
CID 174872442
[(1R,2R,5S,7S,10S,11R,12S,13R,14S,15R,16S,17R,20R)-13-formyloxy-12-hydroxy-2,6,6,10,16,17,20-heptamethyl-7-hexacyclo[12.8.1.01,14.02,11.05,10.015,20]tricosanyl] acetate
CID 162901464
(13-formyloxy-12-hydroxy-2,6,6,10,16,17,20-heptamethyl-7-hexacyclo[12.8.1.01,14.02,11.05,10.015,20]tricosanyl) acetate
CID 85227875
[(3R,4aR,6aR,6bR,8aS,11R,12R,12aR,14aS,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate
CID 162999315

Frequently Asked Questions

What is the IUPAC name of (6,7,10,13,14,18,18-heptamethyl-19-hexacyclo[12.9.0.01,22.04,13.05,10.017,22]tricosanyl) acetate?
The IUPAC name of (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) is (6,7,10,13,14,18,18-heptamethyl-19-hexacyclo[12.9.0.01,22.04,13.05,10.017,22]tricosanyl) acetate.
What is the SMILES notation for (6,7,10,13,14,18,18-heptamethyl-19-hexacyclo[12.9.0.01,22.04,13.05,10.017,22]tricosanyl) acetate?
The canonical SMILES for (6,7,10,13,14,18,18-heptamethyl-19-hexacyclo[12.9.0.01,22.04,13.05,10.017,22]tricosanyl) acetate is CC(=O)OC1CCC23CC24CCC2C5C(C)C(C)CCC5(C)CCC2(C)C4(C)CCC3C1(C)C.
What is the InChIKey of (6,7,10,13,14,18,18-heptamethyl-19-hexacyclo[12.9.0.01,22.04,13.05,10.017,22]tricosanyl) acetate?
The InChIKey is VOYFIPFXUCCCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H52O2/c1-20-9-13-28(6)17-18-29(7)23(26(28)21(20)2)10-16-32-19-31(32)15-12-25(34-22(3)33)27(4,5)24(31)11-14-30(29,32)8/h20-21,23-26H,9-19H2,1-8H3.
What are the key properties of (6,7,10,13,14,18,18-heptamethyl-19-hexacyclo[12.9.0.01,22.04,13.05,10.017,22]tricosanyl) acetate?
(6,7,10,13,14,18,18-heptamethyl-19-hexacyclo[12.9.0.01,22.04,13.05,10.017,22]tricosanyl) acetate has a molecular weight of 468.77 g/mol, XLogP of 8.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7,10,13,14,18,18-heptamethyl-19-hexacyclo[12.9.0.01,22.04,13.05,10.017,22]tricosanyl) acetate is sourced from PubChem (CID 163017877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).