(1R,4R,9R,10R,12S,13S)-5,5,9,13-tetramethyltetracyclo[10.2.2.01,10.04,9]hexadecane

C20H34 — CID 70681871

IUPAC(1R,4R,9R,10R,12S,13S)-5,5,9,13-tetramethyltetracyclo[10.2.2.01,10.04,9]hexadecane
SMILESC[C@H]1C[C@]23CC[C@H]1C[C@H]2[C@]1(C)CCCC(C)(C)[C@H]1CC3
InChIInChI=1S/C20H34/c1-14-13-20-10-6-15(14)12-17(20)19(4)9-5-8-18(2,3)16(19)7-11-20/h14-17H,5-13H2,1-4H3/t14-,15-,16+,17-,19+,20+/m0/s1
InChIKeyUCOPQLQDVYQSTF-QTGPRJIVSA-N
MW274.49 g/mol
LogP6.06
Rot. Bonds

About (1R,4R,9R,10R,12S,13S)-5,5,9,13-tetramethyltetracyclo[10.2.2.01,10.04,9]hexadecane

(1R,4R,9R,10R,12S,13S)-5,5,9,13-tetramethyltetracyclo[10.2.2.01,10.04,9]hexadecane (PubChem CID 70681871) has the molecular formula C20H34 and a molecular weight of 274.49 g/mol. Its IUPAC name is (1R,4R,9R,10R,12S,13S)-5,5,9,13-tetramethyltetracyclo[10.2.2.01,10.04,9]hexadecane.

Molecular Properties

Compound Name(1R,4R,9R,10R,12S,13S)-5,5,9,13-tetramethyltetracyclo[10.2.2.01,10.04,9]hexadecane
PubChem CID70681871
Molecular FormulaC20H34
Molecular Weight274.49 g/mol
Exact Mass274.27
IUPAC Name(1R,4R,9R,10R,12S,13S)-5,5,9,13-tetramethyltetracyclo[10.2.2.01,10.04,9]hexadecane
SMILESC[C@H]1C[C@]23CC[C@H]1C[C@H]2[C@]1(C)CCCC(C)(C)[C@H]1CC3
InChIInChI=1S/C20H34/c1-14-13-20-10-6-15(14)12-17(20)19(4)9-5-8-18(2,3)16(19)7-11-20/h14-17H,5-13H2,1-4H3/t14-,15-,16+,17-,19+,20+/m0/s1
InChIKeyUCOPQLQDVYQSTF-QTGPRJIVSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.49
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (1R,4R,9R,10R,12S,13S)-5,5,9,13-tetramethyltetracyclo[10.2.2.01,10.04,9]hexadecane 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 (1R,4R,9R,10R,12S,13S)-5,5,9,13-tetramethyltetracyclo[10.2.2.01,10.04,9]hexadecane?
The IUPAC name of (1R,4R,9R,10R,12S,13S)-5,5,9,13-tetramethyltetracyclo[10.2.2.01,10.04,9]hexadecane (CID 70681871) is (1R,4R,9R,10R,12S,13S)-5,5,9,13-tetramethyltetracyclo[10.2.2.01,10.04,9]hexadecane.
What is the SMILES notation for (1R,4R,9R,10R,12S,13S)-5,5,9,13-tetramethyltetracyclo[10.2.2.01,10.04,9]hexadecane?
The canonical SMILES for (1R,4R,9R,10R,12S,13S)-5,5,9,13-tetramethyltetracyclo[10.2.2.01,10.04,9]hexadecane is C[C@H]1C[C@]23CC[C@H]1C[C@H]2[C@]1(C)CCCC(C)(C)[C@H]1CC3.
What is the InChIKey of (1R,4R,9R,10R,12S,13S)-5,5,9,13-tetramethyltetracyclo[10.2.2.01,10.04,9]hexadecane?
The InChIKey is UCOPQLQDVYQSTF-QTGPRJIVSA-N. The full InChI is InChI=1S/C20H34/c1-14-13-20-10-6-15(14)12-17(20)19(4)9-5-8-18(2,3)16(19)7-11-20/h14-17H,5-13H2,1-4H3/t14-,15-,16+,17-,19+,20+/m0/s1.
What are the key properties of (1R,4R,9R,10R,12S,13S)-5,5,9,13-tetramethyltetracyclo[10.2.2.01,10.04,9]hexadecane?
(1R,4R,9R,10R,12S,13S)-5,5,9,13-tetramethyltetracyclo[10.2.2.01,10.04,9]hexadecane has a molecular weight of 274.49 g/mol, XLogP of 6.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,9R,10R,12S,13S)-5,5,9,13-tetramethyltetracyclo[10.2.2.01,10.04,9]hexadecane is sourced from PubChem (CID 70681871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).