(1R,5R,6S,8S,9S,10R)-5,6,9-trimethyltetracyclo[7.2.1.01,6.08,10]dodecane

C15H24 — CID 163009191

IUPAC(1R,5R,6S,8S,9S,10R)-5,6,9-trimethyltetracyclo[7.2.1.01,6.08,10]dodecane
SMILESC[C@@H]1CCC[C@]23C[C@@H]4[C@H](C[C@@]12C)[C@@]4(C)C3
InChIInChI=1S/C15H24/c1-10-5-4-6-15-8-12-11(7-14(10,15)3)13(12,2)9-15/h10-12H,4-9H2,1-3H3/t10-,11+,12-,13-,14+,15-/m1/s1
InChIKeyXGEWXQPYPMTSBD-ZAQNNHEOSA-N
MW204.36 g/mol
LogP4.25
Rot. Bonds

About (1R,5R,6S,8S,9S,10R)-5,6,9-trimethyltetracyclo[7.2.1.01,6.08,10]dodecane

(1R,5R,6S,8S,9S,10R)-5,6,9-trimethyltetracyclo[7.2.1.01,6.08,10]dodecane (PubChem CID 163009191) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (1R,5R,6S,8S,9S,10R)-5,6,9-trimethyltetracyclo[7.2.1.01,6.08,10]dodecane.

Molecular Properties

Compound Name(1R,5R,6S,8S,9S,10R)-5,6,9-trimethyltetracyclo[7.2.1.01,6.08,10]dodecane
PubChem CID163009191
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(1R,5R,6S,8S,9S,10R)-5,6,9-trimethyltetracyclo[7.2.1.01,6.08,10]dodecane
SMILESC[C@@H]1CCC[C@]23C[C@@H]4[C@H](C[C@@]12C)[C@@]4(C)C3
InChIInChI=1S/C15H24/c1-10-5-4-6-15-8-12-11(7-14(10,15)3)13(12,2)9-15/h10-12H,4-9H2,1-3H3/t10-,11+,12-,13-,14+,15-/m1/s1
InChIKeyXGEWXQPYPMTSBD-ZAQNNHEOSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1R,5R,6S,8S,9S,10R)-5,6,9-trimethyltetracyclo[7.2.1.01,6.08,10]dodecane?
The IUPAC name of (1R,5R,6S,8S,9S,10R)-5,6,9-trimethyltetracyclo[7.2.1.01,6.08,10]dodecane (CID 163009191) is (1R,5R,6S,8S,9S,10R)-5,6,9-trimethyltetracyclo[7.2.1.01,6.08,10]dodecane.
What is the SMILES notation for (1R,5R,6S,8S,9S,10R)-5,6,9-trimethyltetracyclo[7.2.1.01,6.08,10]dodecane?
The canonical SMILES for (1R,5R,6S,8S,9S,10R)-5,6,9-trimethyltetracyclo[7.2.1.01,6.08,10]dodecane is C[C@@H]1CCC[C@]23C[C@@H]4[C@H](C[C@@]12C)[C@@]4(C)C3.
What is the InChIKey of (1R,5R,6S,8S,9S,10R)-5,6,9-trimethyltetracyclo[7.2.1.01,6.08,10]dodecane?
The InChIKey is XGEWXQPYPMTSBD-ZAQNNHEOSA-N. The full InChI is InChI=1S/C15H24/c1-10-5-4-6-15-8-12-11(7-14(10,15)3)13(12,2)9-15/h10-12H,4-9H2,1-3H3/t10-,11+,12-,13-,14+,15-/m1/s1.
What are the key properties of (1R,5R,6S,8S,9S,10R)-5,6,9-trimethyltetracyclo[7.2.1.01,6.08,10]dodecane?
(1R,5R,6S,8S,9S,10R)-5,6,9-trimethyltetracyclo[7.2.1.01,6.08,10]dodecane has a molecular weight of 204.36 g/mol, XLogP of 4.25, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,6S,8S,9S,10R)-5,6,9-trimethyltetracyclo[7.2.1.01,6.08,10]dodecane is sourced from PubChem (CID 163009191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).