(1S,2R,5R,7S)-2-methyltricyclo[5.3.0.02,5]decane

C11H18 — CID 10931616

IUPAC(1S,2R,5R,7S)-2-methyltricyclo[5.3.0.02,5]decane
SMILESC[C@@]12CC[C@@H]1C[C@@H]1CCC[C@@H]12
InChIInChI=1S/C11H18/c1-11-6-5-9(11)7-8-3-2-4-10(8)11/h8-10H,2-7H2,1H3/t8-,9+,10-,11+/m0/s1
InChIKeyWLRFFUWJGLHUDA-ZRUFSTJUSA-N
MW150.27 g/mol
LogP3.22
Rot. Bonds

About (1S,2R,5R,7S)-2-methyltricyclo[5.3.0.02,5]decane

(1S,2R,5R,7S)-2-methyltricyclo[5.3.0.02,5]decane (PubChem CID 10931616) has the molecular formula C11H18 and a molecular weight of 150.27 g/mol. Its IUPAC name is (1S,2R,5R,7S)-2-methyltricyclo[5.3.0.02,5]decane.

Molecular Properties

Compound Name(1S,2R,5R,7S)-2-methyltricyclo[5.3.0.02,5]decane
PubChem CID10931616
Molecular FormulaC11H18
Molecular Weight150.27 g/mol
Exact Mass150.14
IUPAC Name(1S,2R,5R,7S)-2-methyltricyclo[5.3.0.02,5]decane
SMILESC[C@@]12CC[C@@H]1C[C@@H]1CCC[C@@H]12
InChIInChI=1S/C11H18/c1-11-6-5-9(11)7-8-3-2-4-10(8)11/h8-10H,2-7H2,1H3/t8-,9+,10-,11+/m0/s1
InChIKeyWLRFFUWJGLHUDA-ZRUFSTJUSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.27
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,5R,7S)-2-methyltricyclo[5.3.0.02,5]decane?
The IUPAC name of (1S,2R,5R,7S)-2-methyltricyclo[5.3.0.02,5]decane (CID 10931616) is (1S,2R,5R,7S)-2-methyltricyclo[5.3.0.02,5]decane.
What is the SMILES notation for (1S,2R,5R,7S)-2-methyltricyclo[5.3.0.02,5]decane?
The canonical SMILES for (1S,2R,5R,7S)-2-methyltricyclo[5.3.0.02,5]decane is C[C@@]12CC[C@@H]1C[C@@H]1CCC[C@@H]12.
What is the InChIKey of (1S,2R,5R,7S)-2-methyltricyclo[5.3.0.02,5]decane?
The InChIKey is WLRFFUWJGLHUDA-ZRUFSTJUSA-N. The full InChI is InChI=1S/C11H18/c1-11-6-5-9(11)7-8-3-2-4-10(8)11/h8-10H,2-7H2,1H3/t8-,9+,10-,11+/m0/s1.
What are the key properties of (1S,2R,5R,7S)-2-methyltricyclo[5.3.0.02,5]decane?
(1S,2R,5R,7S)-2-methyltricyclo[5.3.0.02,5]decane has a molecular weight of 150.27 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5R,7S)-2-methyltricyclo[5.3.0.02,5]decane is sourced from PubChem (CID 10931616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).