(1S)-6,7-dimethyltricyclo[6.2.1.02,5]undec-2-ene

C13H20 — CID 163700219

IUPAC(1S)-6,7-dimethyltricyclo[6.2.1.02,5]undec-2-ene
SMILESCC1C2CC[C@@H](C2)C2=CCC2C1C
InChIInChI=1S/C13H20/c1-8-9(2)12-5-6-13(12)11-4-3-10(8)7-11/h6,8-12H,3-5,7H2,1-2H3/t8?,9?,10?,11-,12?/m0/s1
InChIKeyKAISLEPCZUISJV-CRCJWISWSA-N
MW176.30 g/mol
LogP3.63
Rot. Bonds

About (1S)-6,7-dimethyltricyclo[6.2.1.02,5]undec-2-ene

(1S)-6,7-dimethyltricyclo[6.2.1.02,5]undec-2-ene (PubChem CID 163700219) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is (1S)-6,7-dimethyltricyclo[6.2.1.02,5]undec-2-ene.

Molecular Properties

Compound Name(1S)-6,7-dimethyltricyclo[6.2.1.02,5]undec-2-ene
PubChem CID163700219
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name(1S)-6,7-dimethyltricyclo[6.2.1.02,5]undec-2-ene
SMILESCC1C2CC[C@@H](C2)C2=CCC2C1C
InChIInChI=1S/C13H20/c1-8-9(2)12-5-6-13(12)11-4-3-10(8)7-11/h6,8-12H,3-5,7H2,1-2H3/t8?,9?,10?,11-,12?/m0/s1
InChIKeyKAISLEPCZUISJV-CRCJWISWSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1R,3R,4S)-2,3-dimethylbicyclo[2.2.1]heptane
CID 163414856
(1R,3S,4S)-2,3-dimethylbicyclo[2.2.1]heptane
CID 91107187
(1S,4R)-5-methylbicyclo[2.1.1]hexane
CID 154518789
2,3-dimethylbicyclo[2.2.1]heptane;methoxymethane
CID 123361313
(1S,5S,10S,11R,13S,16S)-6,6,10,16-tetramethyltetracyclo[11.2.1.02,11.05,10]hexadec-2-ene
CID 15109191
(2R)-2-methyl-3-methylidenebicyclo[2.2.1]heptane
CID 91747572
(13Z)-15-methyltricyclo[12.4.0.03,5]octadec-13-ene
CID 163748549
(1S,4S)-3-methylbicyclo[2.2.1]heptan-2-one
CID 131111268
6-cyclohexyl-2-cyclopropyl-5-methyl-1-propyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene
CID 143261061
(1Z)-tricyclo[7.1.0.04,6]dec-1-ene
CID 10441753
(3S,8S,9aS)-3,5,5,8-tetramethyl-1,2,3,8,9,9a-hexahydrocyclopenta[8]annulene
CID 95565248
(5R)-tricyclo[3.2.0.02,7]hept-2-ene
CID 149103899

Frequently Asked Questions

What is the IUPAC name of (1S)-6,7-dimethyltricyclo[6.2.1.02,5]undec-2-ene?
The IUPAC name of (1S)-6,7-dimethyltricyclo[6.2.1.02,5]undec-2-ene (CID 163700219) is (1S)-6,7-dimethyltricyclo[6.2.1.02,5]undec-2-ene.
What is the SMILES notation for (1S)-6,7-dimethyltricyclo[6.2.1.02,5]undec-2-ene?
The canonical SMILES for (1S)-6,7-dimethyltricyclo[6.2.1.02,5]undec-2-ene is CC1C2CC[C@@H](C2)C2=CCC2C1C.
What is the InChIKey of (1S)-6,7-dimethyltricyclo[6.2.1.02,5]undec-2-ene?
The InChIKey is KAISLEPCZUISJV-CRCJWISWSA-N. The full InChI is InChI=1S/C13H20/c1-8-9(2)12-5-6-13(12)11-4-3-10(8)7-11/h6,8-12H,3-5,7H2,1-2H3/t8?,9?,10?,11-,12?/m0/s1.
What are the key properties of (1S)-6,7-dimethyltricyclo[6.2.1.02,5]undec-2-ene?
(1S)-6,7-dimethyltricyclo[6.2.1.02,5]undec-2-ene has a molecular weight of 176.30 g/mol, XLogP of 3.63, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-6,7-dimethyltricyclo[6.2.1.02,5]undec-2-ene is sourced from PubChem (CID 163700219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).