(1R,2S,6R,7S)-2,6-dimethyl-3-propan-2-yltricyclo[5.2.1.02,6]dec-3-ene

C15H24 — CID 636697

IUPAC(1R,2S,6R,7S)-2,6-dimethyl-3-propan-2-yltricyclo[5.2.1.02,6]dec-3-ene
SMILESCC(C)C1=CC[C@]2(C)[C@H]3CC[C@H](C3)[C@]12C
InChIInChI=1S/C15H24/c1-10(2)13-7-8-14(3)11-5-6-12(9-11)15(13,14)4/h7,10-12H,5-6,8-9H2,1-4H3/t11-,12+,14+,15+/m0/s1
InChIKeyZGKPBXWQOYDEMA-CTHBEMJXSA-N
MW204.36 g/mol
LogP4.41
Rot. Bonds1

About (1R,2S,6R,7S)-2,6-dimethyl-3-propan-2-yltricyclo[5.2.1.02,6]dec-3-ene

(1R,2S,6R,7S)-2,6-dimethyl-3-propan-2-yltricyclo[5.2.1.02,6]dec-3-ene (PubChem CID 636697) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (1R,2S,6R,7S)-2,6-dimethyl-3-propan-2-yltricyclo[5.2.1.02,6]dec-3-ene.

Molecular Properties

Compound Name(1R,2S,6R,7S)-2,6-dimethyl-3-propan-2-yltricyclo[5.2.1.02,6]dec-3-ene
PubChem CID636697
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(1R,2S,6R,7S)-2,6-dimethyl-3-propan-2-yltricyclo[5.2.1.02,6]dec-3-ene
SMILESCC(C)C1=CC[C@]2(C)[C@H]3CC[C@H](C3)[C@]12C
InChIInChI=1S/C15H24/c1-10(2)13-7-8-14(3)11-5-6-12(9-11)15(13,14)4/h7,10-12H,5-6,8-9H2,1-4H3/t11-,12+,14+,15+/m0/s1
InChIKeyZGKPBXWQOYDEMA-CTHBEMJXSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.41
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,6R,7S)-2,6-dimethyl-3-propan-2-yltricyclo[5.2.1.02,6]dec-3-ene?
The IUPAC name of (1R,2S,6R,7S)-2,6-dimethyl-3-propan-2-yltricyclo[5.2.1.02,6]dec-3-ene (CID 636697) is (1R,2S,6R,7S)-2,6-dimethyl-3-propan-2-yltricyclo[5.2.1.02,6]dec-3-ene.
What is the SMILES notation for (1R,2S,6R,7S)-2,6-dimethyl-3-propan-2-yltricyclo[5.2.1.02,6]dec-3-ene?
The canonical SMILES for (1R,2S,6R,7S)-2,6-dimethyl-3-propan-2-yltricyclo[5.2.1.02,6]dec-3-ene is CC(C)C1=CC[C@]2(C)[C@H]3CC[C@H](C3)[C@]12C.
What is the InChIKey of (1R,2S,6R,7S)-2,6-dimethyl-3-propan-2-yltricyclo[5.2.1.02,6]dec-3-ene?
The InChIKey is ZGKPBXWQOYDEMA-CTHBEMJXSA-N. The full InChI is InChI=1S/C15H24/c1-10(2)13-7-8-14(3)11-5-6-12(9-11)15(13,14)4/h7,10-12H,5-6,8-9H2,1-4H3/t11-,12+,14+,15+/m0/s1.
What are the key properties of (1R,2S,6R,7S)-2,6-dimethyl-3-propan-2-yltricyclo[5.2.1.02,6]dec-3-ene?
(1R,2S,6R,7S)-2,6-dimethyl-3-propan-2-yltricyclo[5.2.1.02,6]dec-3-ene has a molecular weight of 204.36 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6R,7S)-2,6-dimethyl-3-propan-2-yltricyclo[5.2.1.02,6]dec-3-ene is sourced from PubChem (CID 636697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).