(1S,8R,15S,22R)-1,8,15,22-tetramethylhexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,16,18,20-nonaen-4-ol

C26H24O — CID 177414444

IUPAC(1S,8R,15S,22R)-1,8,15,22-tetramethylhexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,16,18,20-nonaen-4-ol
SMILESC[C@]12c3ccccc3[C@]3(C)c4ccc(O)cc4[C@](C)(c4ccccc41)[C@]23C
InChIInChI=1S/C26H24O/c1-23-17-9-5-6-10-18(17)24(2)21-14-13-16(27)15-22(21)25(3,26(23,24)4)20-12-8-7-11-19(20)23/h5-15,27H,1-4H3/t23-,24+,25-,26+/m0/s1
InChIKeyCVAQARKNZVXOLH-ROXDYWFKSA-N
MW352.48 g/mol
LogP5.66
Rot. Bonds

About (1S,8R,15S,22R)-1,8,15,22-tetramethylhexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,16,18,20-nonaen-4-ol

(1S,8R,15S,22R)-1,8,15,22-tetramethylhexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,16,18,20-nonaen-4-ol (PubChem CID 177414444) has the molecular formula C26H24O and a molecular weight of 352.48 g/mol. Its IUPAC name is (1S,8R,15S,22R)-1,8,15,22-tetramethylhexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,16,18,20-nonaen-4-ol.

Molecular Properties

Compound Name(1S,8R,15S,22R)-1,8,15,22-tetramethylhexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,16,18,20-nonaen-4-ol
PubChem CID177414444
Molecular FormulaC26H24O
Molecular Weight352.48 g/mol
Exact Mass352.18
IUPAC Name(1S,8R,15S,22R)-1,8,15,22-tetramethylhexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,16,18,20-nonaen-4-ol
SMILESC[C@]12c3ccccc3[C@]3(C)c4ccc(O)cc4[C@](C)(c4ccccc41)[C@]23C
InChIInChI=1S/C26H24O/c1-23-17-9-5-6-10-18(17)24(2)21-14-13-16(27)15-22(21)25(3,26(23,24)4)20-12-8-7-11-19(20)23/h5-15,27H,1-4H3/t23-,24+,25-,26+/m0/s1
InChIKeyCVAQARKNZVXOLH-ROXDYWFKSA-N
XLogP5.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.48
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S,8R,15S,22R)-1,8,15,22-tetramethylhexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,16,18,20-nonaen-4-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,8R,15S,22R)-1,8,15,22-tetramethylhexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,16,18,20-nonaen-4-ol?
The IUPAC name of (1S,8R,15S,22R)-1,8,15,22-tetramethylhexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,16,18,20-nonaen-4-ol (CID 177414444) is (1S,8R,15S,22R)-1,8,15,22-tetramethylhexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,16,18,20-nonaen-4-ol.
What is the SMILES notation for (1S,8R,15S,22R)-1,8,15,22-tetramethylhexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,16,18,20-nonaen-4-ol?
The canonical SMILES for (1S,8R,15S,22R)-1,8,15,22-tetramethylhexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,16,18,20-nonaen-4-ol is C[C@]12c3ccccc3[C@]3(C)c4ccc(O)cc4[C@](C)(c4ccccc41)[C@]23C.
What is the InChIKey of (1S,8R,15S,22R)-1,8,15,22-tetramethylhexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,16,18,20-nonaen-4-ol?
The InChIKey is CVAQARKNZVXOLH-ROXDYWFKSA-N. The full InChI is InChI=1S/C26H24O/c1-23-17-9-5-6-10-18(17)24(2)21-14-13-16(27)15-22(21)25(3,26(23,24)4)20-12-8-7-11-19(20)23/h5-15,27H,1-4H3/t23-,24+,25-,26+/m0/s1.
What are the key properties of (1S,8R,15S,22R)-1,8,15,22-tetramethylhexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,16,18,20-nonaen-4-ol?
(1S,8R,15S,22R)-1,8,15,22-tetramethylhexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,16,18,20-nonaen-4-ol has a molecular weight of 352.48 g/mol, XLogP of 5.66, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8R,15S,22R)-1,8,15,22-tetramethylhexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,16,18,20-nonaen-4-ol is sourced from PubChem (CID 177414444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).