(1R,2S,8S)-2,6,7,7-tetramethyltricyclo[6.2.1.01,5]undec-5-ene

C15H24 — CID 23724686

IUPAC(1R,2S,8S)-2,6,7,7-tetramethyltricyclo[6.2.1.01,5]undec-5-ene
SMILESCC1=C2CC[C@H](C)[C@]23CC[C@@H](C3)C1(C)C
InChIInChI=1S/C15H24/c1-10-5-6-13-11(2)14(3,4)12-7-8-15(10,13)9-12/h10,12H,5-9H2,1-4H3/t10-,12-,15+/m0/s1
InChIKeyCYLSPJUZBPWJGC-ITDIGPHOSA-N
MW204.36 g/mol
LogP4.56
Rot. Bonds

About (1R,2S,8S)-2,6,7,7-tetramethyltricyclo[6.2.1.01,5]undec-5-ene

(1R,2S,8S)-2,6,7,7-tetramethyltricyclo[6.2.1.01,5]undec-5-ene (PubChem CID 23724686) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (1R,2S,8S)-2,6,7,7-tetramethyltricyclo[6.2.1.01,5]undec-5-ene.

Molecular Properties

Compound Name(1R,2S,8S)-2,6,7,7-tetramethyltricyclo[6.2.1.01,5]undec-5-ene
PubChem CID23724686
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(1R,2S,8S)-2,6,7,7-tetramethyltricyclo[6.2.1.01,5]undec-5-ene
SMILESCC1=C2CC[C@H](C)[C@]23CC[C@@H](C3)C1(C)C
InChIInChI=1S/C15H24/c1-10-5-6-13-11(2)14(3,4)12-7-8-15(10,13)9-12/h10,12H,5-9H2,1-4H3/t10-,12-,15+/m0/s1
InChIKeyCYLSPJUZBPWJGC-ITDIGPHOSA-N
XLogP4.56
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 ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,8S)-2,6,7,7-tetramethyltricyclo[6.2.1.01,5]undec-5-ene?
The IUPAC name of (1R,2S,8S)-2,6,7,7-tetramethyltricyclo[6.2.1.01,5]undec-5-ene (CID 23724686) is (1R,2S,8S)-2,6,7,7-tetramethyltricyclo[6.2.1.01,5]undec-5-ene.
What is the SMILES notation for (1R,2S,8S)-2,6,7,7-tetramethyltricyclo[6.2.1.01,5]undec-5-ene?
The canonical SMILES for (1R,2S,8S)-2,6,7,7-tetramethyltricyclo[6.2.1.01,5]undec-5-ene is CC1=C2CC[C@H](C)[C@]23CC[C@@H](C3)C1(C)C.
What is the InChIKey of (1R,2S,8S)-2,6,7,7-tetramethyltricyclo[6.2.1.01,5]undec-5-ene?
The InChIKey is CYLSPJUZBPWJGC-ITDIGPHOSA-N. The full InChI is InChI=1S/C15H24/c1-10-5-6-13-11(2)14(3,4)12-7-8-15(10,13)9-12/h10,12H,5-9H2,1-4H3/t10-,12-,15+/m0/s1.
What are the key properties of (1R,2S,8S)-2,6,7,7-tetramethyltricyclo[6.2.1.01,5]undec-5-ene?
(1R,2S,8S)-2,6,7,7-tetramethyltricyclo[6.2.1.01,5]undec-5-ene has a molecular weight of 204.36 g/mol, XLogP of 4.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,8S)-2,6,7,7-tetramethyltricyclo[6.2.1.01,5]undec-5-ene is sourced from PubChem (CID 23724686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).