(1S,2S,4S,5S,8R,10S,11S,14R,15S,18R)-1,8,10,15-tetramethyl-5-propan-2-ylpentacyclo[9.7.0.02,15.04,8.014,18]octadecan-11-ol

C25H42O — CID 156582160

IUPAC(1S,2S,4S,5S,8R,10S,11S,14R,15S,18R)-1,8,10,15-tetramethyl-5-propan-2-ylpentacyclo[9.7.0.02,15.04,8.014,18]octadecan-11-ol
SMILESCC(C)[C@@H]1CC[C@]2(C)C[C@H](C)[C@@]3(O)CC[C@@H]4[C@H]5CC[C@]4(C)[C@H](C[C@@H]12)[C@]53C
InChIInChI=1S/C25H42O/c1-15(2)17-7-10-22(4)14-16(3)25(26)12-9-18-19-8-11-23(18,5)21(13-20(17)22)24(19,25)6/h15-21,26H,7-14H2,1-6H3/t16-,17-,18+,19+,20-,21-,22+,23-,24-,25-/m0/s1
InChIKeyBEGKLIBTSVUCGB-HDDHRNPVSA-N
MW358.61 g/mol
LogP6.30
Rot. Bonds1

About (1S,2S,4S,5S,8R,10S,11S,14R,15S,18R)-1,8,10,15-tetramethyl-5-propan-2-ylpentacyclo[9.7.0.02,15.04,8.014,18]octadecan-11-ol

(1S,2S,4S,5S,8R,10S,11S,14R,15S,18R)-1,8,10,15-tetramethyl-5-propan-2-ylpentacyclo[9.7.0.02,15.04,8.014,18]octadecan-11-ol (PubChem CID 156582160) has the molecular formula C25H42O and a molecular weight of 358.61 g/mol. Its IUPAC name is (1S,2S,4S,5S,8R,10S,11S,14R,15S,18R)-1,8,10,15-tetramethyl-5-propan-2-ylpentacyclo[9.7.0.02,15.04,8.014,18]octadecan-11-ol.

Molecular Properties

Compound Name(1S,2S,4S,5S,8R,10S,11S,14R,15S,18R)-1,8,10,15-tetramethyl-5-propan-2-ylpentacyclo[9.7.0.02,15.04,8.014,18]octadecan-11-ol
PubChem CID156582160
Molecular FormulaC25H42O
Molecular Weight358.61 g/mol
Exact Mass358.32
IUPAC Name(1S,2S,4S,5S,8R,10S,11S,14R,15S,18R)-1,8,10,15-tetramethyl-5-propan-2-ylpentacyclo[9.7.0.02,15.04,8.014,18]octadecan-11-ol
SMILESCC(C)[C@@H]1CC[C@]2(C)C[C@H](C)[C@@]3(O)CC[C@@H]4[C@H]5CC[C@]4(C)[C@H](C[C@@H]12)[C@]53C
InChIInChI=1S/C25H42O/c1-15(2)17-7-10-22(4)14-16(3)25(26)12-9-18-19-8-11-23(18,5)21(13-20(17)22)24(19,25)6/h15-21,26H,7-14H2,1-6H3/t16-,17-,18+,19+,20-,21-,22+,23-,24-,25-/m0/s1
InChIKeyBEGKLIBTSVUCGB-HDDHRNPVSA-N
XLogP6.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.61
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S,2S,4S,5S,8R,10S,11S,14R,15S,18R)-1,8,10,15-tetramethyl-5-propan-2-ylpentacyclo[9.7.0.02,15.04,8.014,18]octadecan-11-ol 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,2S,4S,5S,8R,10S,11S,14R,15S,18R)-1,8,10,15-tetramethyl-5-propan-2-ylpentacyclo[9.7.0.02,15.04,8.014,18]octadecan-11-ol?
The IUPAC name of (1S,2S,4S,5S,8R,10S,11S,14R,15S,18R)-1,8,10,15-tetramethyl-5-propan-2-ylpentacyclo[9.7.0.02,15.04,8.014,18]octadecan-11-ol (CID 156582160) is (1S,2S,4S,5S,8R,10S,11S,14R,15S,18R)-1,8,10,15-tetramethyl-5-propan-2-ylpentacyclo[9.7.0.02,15.04,8.014,18]octadecan-11-ol.
What is the SMILES notation for (1S,2S,4S,5S,8R,10S,11S,14R,15S,18R)-1,8,10,15-tetramethyl-5-propan-2-ylpentacyclo[9.7.0.02,15.04,8.014,18]octadecan-11-ol?
The canonical SMILES for (1S,2S,4S,5S,8R,10S,11S,14R,15S,18R)-1,8,10,15-tetramethyl-5-propan-2-ylpentacyclo[9.7.0.02,15.04,8.014,18]octadecan-11-ol is CC(C)[C@@H]1CC[C@]2(C)C[C@H](C)[C@@]3(O)CC[C@@H]4[C@H]5CC[C@]4(C)[C@H](C[C@@H]12)[C@]53C.
What is the InChIKey of (1S,2S,4S,5S,8R,10S,11S,14R,15S,18R)-1,8,10,15-tetramethyl-5-propan-2-ylpentacyclo[9.7.0.02,15.04,8.014,18]octadecan-11-ol?
The InChIKey is BEGKLIBTSVUCGB-HDDHRNPVSA-N. The full InChI is InChI=1S/C25H42O/c1-15(2)17-7-10-22(4)14-16(3)25(26)12-9-18-19-8-11-23(18,5)21(13-20(17)22)24(19,25)6/h15-21,26H,7-14H2,1-6H3/t16-,17-,18+,19+,20-,21-,22+,23-,24-,25-/m0/s1.
What are the key properties of (1S,2S,4S,5S,8R,10S,11S,14R,15S,18R)-1,8,10,15-tetramethyl-5-propan-2-ylpentacyclo[9.7.0.02,15.04,8.014,18]octadecan-11-ol?
(1S,2S,4S,5S,8R,10S,11S,14R,15S,18R)-1,8,10,15-tetramethyl-5-propan-2-ylpentacyclo[9.7.0.02,15.04,8.014,18]octadecan-11-ol has a molecular weight of 358.61 g/mol, XLogP of 6.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4S,5S,8R,10S,11S,14R,15S,18R)-1,8,10,15-tetramethyl-5-propan-2-ylpentacyclo[9.7.0.02,15.04,8.014,18]octadecan-11-ol is sourced from PubChem (CID 156582160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).