(1S,2R,5R,8R)-2,6,10,10-tetramethyltricyclo[6.3.0.01,5]undec-6-ene

C15H24 — CID 12772484

IUPAC(1S,2R,5R,8R)-2,6,10,10-tetramethyltricyclo[6.3.0.01,5]undec-6-ene
SMILESCC1=C[C@H]2CC(C)(C)C[C@]23[C@H](C)CC[C@H]13
InChIInChI=1S/C15H24/c1-10-7-12-8-14(3,4)9-15(12)11(2)5-6-13(10)15/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12+,13-,15+/m1/s1
InChIKeyYGIVIHRLDOVJLL-COMQUAJESA-N
MW204.36 g/mol
LogP4.41
Rot. Bonds

About (1S,2R,5R,8R)-2,6,10,10-tetramethyltricyclo[6.3.0.01,5]undec-6-ene

(1S,2R,5R,8R)-2,6,10,10-tetramethyltricyclo[6.3.0.01,5]undec-6-ene (PubChem CID 12772484) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (1S,2R,5R,8R)-2,6,10,10-tetramethyltricyclo[6.3.0.01,5]undec-6-ene.

Molecular Properties

Compound Name(1S,2R,5R,8R)-2,6,10,10-tetramethyltricyclo[6.3.0.01,5]undec-6-ene
PubChem CID12772484
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(1S,2R,5R,8R)-2,6,10,10-tetramethyltricyclo[6.3.0.01,5]undec-6-ene
SMILESCC1=C[C@H]2CC(C)(C)C[C@]23[C@H](C)CC[C@H]13
InChIInChI=1S/C15H24/c1-10-7-12-8-14(3,4)9-15(12)11(2)5-6-13(10)15/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12+,13-,15+/m1/s1
InChIKeyYGIVIHRLDOVJLL-COMQUAJESA-N
XLogP4.41
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 ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2R,5R,8S)-2,10,10-trimethyltricyclo[6.3.0.01,5]undec-6-ene-6-carbaldehyde
CID 56928137
3,4,5-trihydroxy-6-[(2R,5R,8S)-2,10,10-trimethyltricyclo[6.3.0.01,5]undec-6-ene-6-carbonyl]oxyoxane-2-carboxylic acid
CID 162937955
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(2,10,10-trimethyltricyclo[6.3.0.01,5]undec-6-ene-6-carbonyl)oxyoxane-2-carboxylic acid
CID 162937957
(1S,3S,5S,8S,11S)-3,11-dimethyltricyclo[6.3.0.01,5]undec-6-ene-3,6-dicarboxylic acid
CID 163045819
(3S,3aR,8aR)-3,5,5,8-tetramethyl-1,2,3,4,6,8a-hexahydroazulen-3a-ol
CID 11052868
(5R,8S)-2,6,10,10-tetramethyltricyclo[6.3.0.01,5]undecan-6-ol
CID 134900829
ethyl (1S,2S,5S,8R)-2,10,10-trimethyl-7-oxotricyclo[6.3.0.01,5]undecane-6-carboxylate
CID 10356213
6-(hydroxymethyl)-3,11-dimethyltricyclo[6.3.0.01,5]undec-6-ene-3-carboxylic acid
CID 139584837
(1S,4R)-2,3-dimethylbicyclo[2.2.1]hept-2-ene;2,7,7-trimethylbicyclo[2.2.1]hept-2-ene
CID 173324506
(2S)-1,1,2-trimethylcyclopropane
CID 25022262
(1R,3S,6S,7S)-5,7-dimethyl-1-propan-2-yltricyclo[4.3.0.03,7]non-4-ene
CID 15885582
(1S,2R,5S,8S,9S)-9-hydroxy-2,10,10-trimethyltricyclo[6.3.0.01,5]undec-6-ene-6-carboxylic acid
CID 124871105

Frequently Asked Questions

What is the IUPAC name of (1S,2R,5R,8R)-2,6,10,10-tetramethyltricyclo[6.3.0.01,5]undec-6-ene?
The IUPAC name of (1S,2R,5R,8R)-2,6,10,10-tetramethyltricyclo[6.3.0.01,5]undec-6-ene (CID 12772484) is (1S,2R,5R,8R)-2,6,10,10-tetramethyltricyclo[6.3.0.01,5]undec-6-ene.
What is the SMILES notation for (1S,2R,5R,8R)-2,6,10,10-tetramethyltricyclo[6.3.0.01,5]undec-6-ene?
The canonical SMILES for (1S,2R,5R,8R)-2,6,10,10-tetramethyltricyclo[6.3.0.01,5]undec-6-ene is CC1=C[C@H]2CC(C)(C)C[C@]23[C@H](C)CC[C@H]13.
What is the InChIKey of (1S,2R,5R,8R)-2,6,10,10-tetramethyltricyclo[6.3.0.01,5]undec-6-ene?
The InChIKey is YGIVIHRLDOVJLL-COMQUAJESA-N. The full InChI is InChI=1S/C15H24/c1-10-7-12-8-14(3,4)9-15(12)11(2)5-6-13(10)15/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12+,13-,15+/m1/s1.
What are the key properties of (1S,2R,5R,8R)-2,6,10,10-tetramethyltricyclo[6.3.0.01,5]undec-6-ene?
(1S,2R,5R,8R)-2,6,10,10-tetramethyltricyclo[6.3.0.01,5]undec-6-ene has a molecular weight of 204.36 g/mol, XLogP of 4.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5R,8R)-2,6,10,10-tetramethyltricyclo[6.3.0.01,5]undec-6-ene is sourced from PubChem (CID 12772484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).