(1S,2R,3R,12S,14R,15S)-7,10,17,20-tetramethyl-13,22-dioxahexacyclo[13.6.1.02,14.03,12.06,11.016,21]docosa-4,6,8,10,16,18,20-heptaene

C24H24O2 — CID 23652357

IUPAC(1S,2R,3R,12S,14R,15S)-7,10,17,20-tetramethyl-13,22-dioxahexacyclo[13.6.1.02,14.03,12.06,11.016,21]docosa-4,6,8,10,16,18,20-heptaene
SMILESCc1ccc(C)c2c1C=C[C@@H]1[C@H]3[C@@H](O[C@H]21)[C@H]1O[C@@H]3c2c(C)ccc(C)c21
InChIInChI=1S/C24H24O2/c1-11-5-6-12(2)17-15(11)9-10-16-20-22-18-13(3)7-8-14(4)19(18)23(26-22)24(20)25-21(16)17/h5-10,16,20-24H,1-4H3/t16-,20-,21+,22-,23+,24-/m1/s1
InChIKeyWSUUGOPKLOBFDO-QMXNGUBASA-N
MW344.45 g/mol
LogP5.45
Rot. Bonds

About (1S,2R,3R,12S,14R,15S)-7,10,17,20-tetramethyl-13,22-dioxahexacyclo[13.6.1.02,14.03,12.06,11.016,21]docosa-4,6,8,10,16,18,20-heptaene

(1S,2R,3R,12S,14R,15S)-7,10,17,20-tetramethyl-13,22-dioxahexacyclo[13.6.1.02,14.03,12.06,11.016,21]docosa-4,6,8,10,16,18,20-heptaene (PubChem CID 23652357) has the molecular formula C24H24O2 and a molecular weight of 344.45 g/mol. Its IUPAC name is (1S,2R,3R,12S,14R,15S)-7,10,17,20-tetramethyl-13,22-dioxahexacyclo[13.6.1.02,14.03,12.06,11.016,21]docosa-4,6,8,10,16,18,20-heptaene.

Molecular Properties

Compound Name(1S,2R,3R,12S,14R,15S)-7,10,17,20-tetramethyl-13,22-dioxahexacyclo[13.6.1.02,14.03,12.06,11.016,21]docosa-4,6,8,10,16,18,20-heptaene
PubChem CID23652357
Molecular FormulaC24H24O2
Molecular Weight344.45 g/mol
Exact Mass344.18
IUPAC Name(1S,2R,3R,12S,14R,15S)-7,10,17,20-tetramethyl-13,22-dioxahexacyclo[13.6.1.02,14.03,12.06,11.016,21]docosa-4,6,8,10,16,18,20-heptaene
SMILESCc1ccc(C)c2c1C=C[C@@H]1[C@H]3[C@@H](O[C@H]21)[C@H]1O[C@@H]3c2c(C)ccc(C)c21
InChIInChI=1S/C24H24O2/c1-11-5-6-12(2)17-15(11)9-10-16-20-22-18-13(3)7-8-14(4)19(18)23(26-22)24(20)25-21(16)17/h5-10,16,20-24H,1-4H3/t16-,20-,21+,22-,23+,24-/m1/s1
InChIKeyWSUUGOPKLOBFDO-QMXNGUBASA-N
XLogP5.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.45
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1S,2R,3R,12S,14R,15S)-7,10,17,20-tetramethyl-13,22-dioxahexacyclo[13.6.1.02,14.03,12.06,11.016,21]docosa-4,6,8,10,16,18,20-heptaene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3R,12S,14R,15S)-7,10,17,20-tetramethyl-13,22-dioxahexacyclo[13.6.1.02,14.03,12.06,11.016,21]docosa-4,6,8,10,16,18,20-heptaene?
The IUPAC name of (1S,2R,3R,12S,14R,15S)-7,10,17,20-tetramethyl-13,22-dioxahexacyclo[13.6.1.02,14.03,12.06,11.016,21]docosa-4,6,8,10,16,18,20-heptaene (CID 23652357) is (1S,2R,3R,12S,14R,15S)-7,10,17,20-tetramethyl-13,22-dioxahexacyclo[13.6.1.02,14.03,12.06,11.016,21]docosa-4,6,8,10,16,18,20-heptaene.
What is the SMILES notation for (1S,2R,3R,12S,14R,15S)-7,10,17,20-tetramethyl-13,22-dioxahexacyclo[13.6.1.02,14.03,12.06,11.016,21]docosa-4,6,8,10,16,18,20-heptaene?
The canonical SMILES for (1S,2R,3R,12S,14R,15S)-7,10,17,20-tetramethyl-13,22-dioxahexacyclo[13.6.1.02,14.03,12.06,11.016,21]docosa-4,6,8,10,16,18,20-heptaene is Cc1ccc(C)c2c1C=C[C@@H]1[C@H]3[C@@H](O[C@H]21)[C@H]1O[C@@H]3c2c(C)ccc(C)c21.
What is the InChIKey of (1S,2R,3R,12S,14R,15S)-7,10,17,20-tetramethyl-13,22-dioxahexacyclo[13.6.1.02,14.03,12.06,11.016,21]docosa-4,6,8,10,16,18,20-heptaene?
The InChIKey is WSUUGOPKLOBFDO-QMXNGUBASA-N. The full InChI is InChI=1S/C24H24O2/c1-11-5-6-12(2)17-15(11)9-10-16-20-22-18-13(3)7-8-14(4)19(18)23(26-22)24(20)25-21(16)17/h5-10,16,20-24H,1-4H3/t16-,20-,21+,22-,23+,24-/m1/s1.
What are the key properties of (1S,2R,3R,12S,14R,15S)-7,10,17,20-tetramethyl-13,22-dioxahexacyclo[13.6.1.02,14.03,12.06,11.016,21]docosa-4,6,8,10,16,18,20-heptaene?
(1S,2R,3R,12S,14R,15S)-7,10,17,20-tetramethyl-13,22-dioxahexacyclo[13.6.1.02,14.03,12.06,11.016,21]docosa-4,6,8,10,16,18,20-heptaene has a molecular weight of 344.45 g/mol, XLogP of 5.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3R,12S,14R,15S)-7,10,17,20-tetramethyl-13,22-dioxahexacyclo[13.6.1.02,14.03,12.06,11.016,21]docosa-4,6,8,10,16,18,20-heptaene is sourced from PubChem (CID 23652357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).