[(1S,3R,4R,8R,11S,12R)-4,12,15,15-tetramethyl-8-tricyclo[9.3.1.03,8]pentadecanyl]methanol

C20H36O — CID 66964570

IUPAC[(1S,3R,4R,8R,11S,12R)-4,12,15,15-tetramethyl-8-tricyclo[9.3.1.03,8]pentadecanyl]methanol
SMILESC[C@@H]1CCC[C@@]2(CO)CC[C@H]3[C@H](C)CC[C@@H](C[C@H]12)C3(C)C
InChIInChI=1S/C20H36O/c1-14-6-5-10-20(13-21)11-9-17-15(2)7-8-16(12-18(14)20)19(17,3)4/h14-18,21H,5-13H2,1-4H3/t14-,15-,16+,17+,18-,20+/m1/s1
InChIKeyLHTPCUAQKDKTEB-QFIAKTPHSA-N
MW292.51 g/mol
LogP5.27
Rot. Bonds1

About [(1S,3R,4R,8R,11S,12R)-4,12,15,15-tetramethyl-8-tricyclo[9.3.1.03,8]pentadecanyl]methanol

[(1S,3R,4R,8R,11S,12R)-4,12,15,15-tetramethyl-8-tricyclo[9.3.1.03,8]pentadecanyl]methanol (PubChem CID 66964570) has the molecular formula C20H36O and a molecular weight of 292.51 g/mol. Its IUPAC name is [(1S,3R,4R,8R,11S,12R)-4,12,15,15-tetramethyl-8-tricyclo[9.3.1.03,8]pentadecanyl]methanol.

Molecular Properties

Compound Name[(1S,3R,4R,8R,11S,12R)-4,12,15,15-tetramethyl-8-tricyclo[9.3.1.03,8]pentadecanyl]methanol
PubChem CID66964570
Molecular FormulaC20H36O
Molecular Weight292.51 g/mol
Exact Mass292.28
IUPAC Name[(1S,3R,4R,8R,11S,12R)-4,12,15,15-tetramethyl-8-tricyclo[9.3.1.03,8]pentadecanyl]methanol
SMILESC[C@@H]1CCC[C@@]2(CO)CC[C@H]3[C@H](C)CC[C@@H](C[C@H]12)C3(C)C
InChIInChI=1S/C20H36O/c1-14-6-5-10-20(13-21)11-9-17-15(2)7-8-16(12-18(14)20)19(17,3)4/h14-18,21H,5-13H2,1-4H3/t14-,15-,16+,17+,18-,20+/m1/s1
InChIKeyLHTPCUAQKDKTEB-QFIAKTPHSA-N
XLogP5.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.51
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1S,3R,4R,8R,11S,12R)-4,12,15,15-tetramethyl-8-tricyclo[9.3.1.03,8]pentadecanyl]methanol?
The IUPAC name of [(1S,3R,4R,8R,11S,12R)-4,12,15,15-tetramethyl-8-tricyclo[9.3.1.03,8]pentadecanyl]methanol (CID 66964570) is [(1S,3R,4R,8R,11S,12R)-4,12,15,15-tetramethyl-8-tricyclo[9.3.1.03,8]pentadecanyl]methanol.
What is the SMILES notation for [(1S,3R,4R,8R,11S,12R)-4,12,15,15-tetramethyl-8-tricyclo[9.3.1.03,8]pentadecanyl]methanol?
The canonical SMILES for [(1S,3R,4R,8R,11S,12R)-4,12,15,15-tetramethyl-8-tricyclo[9.3.1.03,8]pentadecanyl]methanol is C[C@@H]1CCC[C@@]2(CO)CC[C@H]3[C@H](C)CC[C@@H](C[C@H]12)C3(C)C.
What is the InChIKey of [(1S,3R,4R,8R,11S,12R)-4,12,15,15-tetramethyl-8-tricyclo[9.3.1.03,8]pentadecanyl]methanol?
The InChIKey is LHTPCUAQKDKTEB-QFIAKTPHSA-N. The full InChI is InChI=1S/C20H36O/c1-14-6-5-10-20(13-21)11-9-17-15(2)7-8-16(12-18(14)20)19(17,3)4/h14-18,21H,5-13H2,1-4H3/t14-,15-,16+,17+,18-,20+/m1/s1.
What are the key properties of [(1S,3R,4R,8R,11S,12R)-4,12,15,15-tetramethyl-8-tricyclo[9.3.1.03,8]pentadecanyl]methanol?
[(1S,3R,4R,8R,11S,12R)-4,12,15,15-tetramethyl-8-tricyclo[9.3.1.03,8]pentadecanyl]methanol has a molecular weight of 292.51 g/mol, XLogP of 5.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R,4R,8R,11S,12R)-4,12,15,15-tetramethyl-8-tricyclo[9.3.1.03,8]pentadecanyl]methanol is sourced from PubChem (CID 66964570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).