(2S,6R,7S)-2,6,7-trimethyl-10-methylidenetricyclo[5.3.1.02,6]undec-8-ene

C15H22 — CID 91751288

IUPAC(2S,6R,7S)-2,6,7-trimethyl-10-methylidenetricyclo[5.3.1.02,6]undec-8-ene
SMILESC=C1C=C[C@]2(C)CC1[C@]1(C)CCC[C@@]12C
InChIInChI=1S/C15H22/c1-11-6-9-13(2)10-12(11)14(3)7-5-8-15(13,14)4/h6,9,12H,1,5,7-8,10H2,2-4H3/t12?,13-,14+,15-/m1/s1
InChIKeyJRVADZCIHISZKL-JALIKCBVSA-N
MW202.34 g/mol
LogP4.34
Rot. Bonds

About (2S,6R,7S)-2,6,7-trimethyl-10-methylidenetricyclo[5.3.1.02,6]undec-8-ene

(2S,6R,7S)-2,6,7-trimethyl-10-methylidenetricyclo[5.3.1.02,6]undec-8-ene (PubChem CID 91751288) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is (2S,6R,7S)-2,6,7-trimethyl-10-methylidenetricyclo[5.3.1.02,6]undec-8-ene.

Molecular Properties

Compound Name(2S,6R,7S)-2,6,7-trimethyl-10-methylidenetricyclo[5.3.1.02,6]undec-8-ene
PubChem CID91751288
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name(2S,6R,7S)-2,6,7-trimethyl-10-methylidenetricyclo[5.3.1.02,6]undec-8-ene
SMILESC=C1C=C[C@]2(C)CC1[C@]1(C)CCC[C@@]12C
InChIInChI=1S/C15H22/c1-11-6-9-13(2)10-12(11)14(3)7-5-8-15(13,14)4/h6,9,12H,1,5,7-8,10H2,2-4H3/t12?,13-,14+,15-/m1/s1
InChIKeyJRVADZCIHISZKL-JALIKCBVSA-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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Related Compounds

1,2,6,8-tetramethyltricyclo[5.3.1.02,6]undec-8-ene
CID 524193
(1R,2R,6S)-1,2,6,8-tetramethyltricyclo[5.3.1.02,6]undec-8-ene
CID 6427471
(1R,5R)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hex-2-ene
CID 162891375
(1R,4aS,8aS)-1-(hydroxymethyl)-5,5,8a-trimethyl-2-methylidene-4a,6,7,8-tetrahydronaphthalen-1-ol
CID 139591338
(1aS,4aR,8aR)-4a,8,8-trimethyl-1a,5,6,7-tetrahydro-1H-cyclopropa[j]naphthalen-2-one
CID 11481130
[(1S,2S,6S,7S,9S,11S)-9-hydroxy-1,2,6-trimethyl-8-methylidene-11-tricyclo[5.3.1.02,6]undecanyl] acetate
CID 11055014
2,5,5,8a-tetramethyl-4-methylidene-4a,6,7,8-tetrahydrochromene
CID 605619
(1S,8R)-7,7-dimethyl-6-methylidenetricyclo[6.2.1.01,5]undec-9-ene
CID 135026576
(1R,2S,7S,8S,9R,11R)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecane-8,11-diol
CID 101316913
2,2,6-trimethyl-10-methylidenetricyclo[5.3.1.01,6]undecan-9-ol
CID 534645
(1R)-1,3-dimethyl-5-methylidene-1-[(1S)-1,2,2-trimethylcyclopentyl]cycloheptane
CID 123429115
4a,8a-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 26067

Frequently Asked Questions

What is the IUPAC name of (2S,6R,7S)-2,6,7-trimethyl-10-methylidenetricyclo[5.3.1.02,6]undec-8-ene?
The IUPAC name of (2S,6R,7S)-2,6,7-trimethyl-10-methylidenetricyclo[5.3.1.02,6]undec-8-ene (CID 91751288) is (2S,6R,7S)-2,6,7-trimethyl-10-methylidenetricyclo[5.3.1.02,6]undec-8-ene.
What is the SMILES notation for (2S,6R,7S)-2,6,7-trimethyl-10-methylidenetricyclo[5.3.1.02,6]undec-8-ene?
The canonical SMILES for (2S,6R,7S)-2,6,7-trimethyl-10-methylidenetricyclo[5.3.1.02,6]undec-8-ene is C=C1C=C[C@]2(C)CC1[C@]1(C)CCC[C@@]12C.
What is the InChIKey of (2S,6R,7S)-2,6,7-trimethyl-10-methylidenetricyclo[5.3.1.02,6]undec-8-ene?
The InChIKey is JRVADZCIHISZKL-JALIKCBVSA-N. The full InChI is InChI=1S/C15H22/c1-11-6-9-13(2)10-12(11)14(3)7-5-8-15(13,14)4/h6,9,12H,1,5,7-8,10H2,2-4H3/t12?,13-,14+,15-/m1/s1.
What are the key properties of (2S,6R,7S)-2,6,7-trimethyl-10-methylidenetricyclo[5.3.1.02,6]undec-8-ene?
(2S,6R,7S)-2,6,7-trimethyl-10-methylidenetricyclo[5.3.1.02,6]undec-8-ene 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 (2S,6R,7S)-2,6,7-trimethyl-10-methylidenetricyclo[5.3.1.02,6]undec-8-ene is sourced from PubChem (CID 91751288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).