(8R,13S,14S,15R,16R)-13,14,15,16-tetramethylhexacyclo[10.4.0.01,4.04,6.05,8.07,9]hexadecane

C20H30 — CID 163686569

IUPAC(8R,13S,14S,15R,16R)-13,14,15,16-tetramethylhexacyclo[10.4.0.01,4.04,6.05,8.07,9]hexadecane
SMILESC[C@@H]1[C@H](C)[C@H](C)C2CCC3C4C5C([C@H]34)C53CCC23[C@@H]1C
InChIInChI=1S/C20H30/c1-9-10(2)12(4)19-7-8-20(19)17-15-13(16(15)18(17)20)5-6-14(19)11(9)3/h9-18H,5-8H2,1-4H3/t9-,10+,11-,12+,13?,14?,15+,16?,17?,18?,19?,20?/m0/s1
InChIKeyJPJFNDLVKSKJJQ-WBAYJICUSA-N
MW270.46 g/mol
LogP4.84
Rot. Bonds

About (8R,13S,14S,15R,16R)-13,14,15,16-tetramethylhexacyclo[10.4.0.01,4.04,6.05,8.07,9]hexadecane

(8R,13S,14S,15R,16R)-13,14,15,16-tetramethylhexacyclo[10.4.0.01,4.04,6.05,8.07,9]hexadecane (PubChem CID 163686569) has the molecular formula C20H30 and a molecular weight of 270.46 g/mol. Its IUPAC name is (8R,13S,14S,15R,16R)-13,14,15,16-tetramethylhexacyclo[10.4.0.01,4.04,6.05,8.07,9]hexadecane.

Molecular Properties

Compound Name(8R,13S,14S,15R,16R)-13,14,15,16-tetramethylhexacyclo[10.4.0.01,4.04,6.05,8.07,9]hexadecane
PubChem CID163686569
Molecular FormulaC20H30
Molecular Weight270.46 g/mol
Exact Mass270.23
IUPAC Name(8R,13S,14S,15R,16R)-13,14,15,16-tetramethylhexacyclo[10.4.0.01,4.04,6.05,8.07,9]hexadecane
SMILESC[C@@H]1[C@H](C)[C@H](C)C2CCC3C4C5C([C@H]34)C53CCC23[C@@H]1C
InChIInChI=1S/C20H30/c1-9-10(2)12(4)19-7-8-20(19)17-15-13(16(15)18(17)20)5-6-14(19)11(9)3/h9-18H,5-8H2,1-4H3/t9-,10+,11-,12+,13?,14?,15+,16?,17?,18?,19?,20?/m0/s1
InChIKeyJPJFNDLVKSKJJQ-WBAYJICUSA-N
XLogP4.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (8R,13S,14S,15R,16R)-13,14,15,16-tetramethylhexacyclo[10.4.0.01,4.04,6.05,8.07,9]hexadecane with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (8R,13S,14S,15R,16R)-13,14,15,16-tetramethylhexacyclo[10.4.0.01,4.04,6.05,8.07,9]hexadecane?
The IUPAC name of (8R,13S,14S,15R,16R)-13,14,15,16-tetramethylhexacyclo[10.4.0.01,4.04,6.05,8.07,9]hexadecane (CID 163686569) is (8R,13S,14S,15R,16R)-13,14,15,16-tetramethylhexacyclo[10.4.0.01,4.04,6.05,8.07,9]hexadecane.
What is the SMILES notation for (8R,13S,14S,15R,16R)-13,14,15,16-tetramethylhexacyclo[10.4.0.01,4.04,6.05,8.07,9]hexadecane?
The canonical SMILES for (8R,13S,14S,15R,16R)-13,14,15,16-tetramethylhexacyclo[10.4.0.01,4.04,6.05,8.07,9]hexadecane is C[C@@H]1[C@H](C)[C@H](C)C2CCC3C4C5C([C@H]34)C53CCC23[C@@H]1C.
What is the InChIKey of (8R,13S,14S,15R,16R)-13,14,15,16-tetramethylhexacyclo[10.4.0.01,4.04,6.05,8.07,9]hexadecane?
The InChIKey is JPJFNDLVKSKJJQ-WBAYJICUSA-N. The full InChI is InChI=1S/C20H30/c1-9-10(2)12(4)19-7-8-20(19)17-15-13(16(15)18(17)20)5-6-14(19)11(9)3/h9-18H,5-8H2,1-4H3/t9-,10+,11-,12+,13?,14?,15+,16?,17?,18?,19?,20?/m0/s1.
What are the key properties of (8R,13S,14S,15R,16R)-13,14,15,16-tetramethylhexacyclo[10.4.0.01,4.04,6.05,8.07,9]hexadecane?
(8R,13S,14S,15R,16R)-13,14,15,16-tetramethylhexacyclo[10.4.0.01,4.04,6.05,8.07,9]hexadecane has a molecular weight of 270.46 g/mol, XLogP of 4.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,13S,14S,15R,16R)-13,14,15,16-tetramethylhexacyclo[10.4.0.01,4.04,6.05,8.07,9]hexadecane is sourced from PubChem (CID 163686569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).