(1S,7R,10R)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undeca-2,4-diene

C15H22 — CID 42608161

IUPAC(1S,7R,10R)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undeca-2,4-diene
SMILESCC1=C2C[C@H]3CC[C@@H](C)[C@]2(C=C1)C3(C)C
InChIInChI=1S/C15H22/c1-10-7-8-15-11(2)5-6-12(9-13(10)15)14(15,3)4/h7-8,11-12H,5-6,9H2,1-4H3/t11-,12-,15+/m1/s1
InChIKeyDPHLFUXQEZYZAP-JMSVASOKSA-N
MW202.34 g/mol
LogP4.34
Rot. Bonds

About (1S,7R,10R)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undeca-2,4-diene

(1S,7R,10R)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undeca-2,4-diene (PubChem CID 42608161) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is (1S,7R,10R)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undeca-2,4-diene.

Molecular Properties

Compound Name(1S,7R,10R)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undeca-2,4-diene
PubChem CID42608161
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name(1S,7R,10R)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undeca-2,4-diene
SMILESCC1=C2C[C@H]3CC[C@@H](C)[C@]2(C=C1)C3(C)C
InChIInChI=1S/C15H22/c1-10-7-8-15-11(2)5-6-12(9-13(10)15)14(15,3)4/h7-8,11-12H,5-6,9H2,1-4H3/t11-,12-,15+/m1/s1
InChIKeyDPHLFUXQEZYZAP-JMSVASOKSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1S,7R,10R)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undeca-2,4-diene?
The IUPAC name of (1S,7R,10R)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undeca-2,4-diene (CID 42608161) is (1S,7R,10R)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undeca-2,4-diene.
What is the SMILES notation for (1S,7R,10R)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undeca-2,4-diene?
The canonical SMILES for (1S,7R,10R)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undeca-2,4-diene is CC1=C2C[C@H]3CC[C@@H](C)[C@]2(C=C1)C3(C)C.
What is the InChIKey of (1S,7R,10R)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undeca-2,4-diene?
The InChIKey is DPHLFUXQEZYZAP-JMSVASOKSA-N. The full InChI is InChI=1S/C15H22/c1-10-7-8-15-11(2)5-6-12(9-13(10)15)14(15,3)4/h7-8,11-12H,5-6,9H2,1-4H3/t11-,12-,15+/m1/s1.
What are the key properties of (1S,7R,10R)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undeca-2,4-diene?
(1S,7R,10R)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undeca-2,4-diene has a molecular weight of 202.34 g/mol, XLogP of 4.34, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,7R,10R)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undeca-2,4-diene is sourced from PubChem (CID 42608161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).