(1R,5R,7S)-2,6,6,9-tetramethyltricyclo[5.4.0.01,5]undec-8-ene

C15H24 — CID 91750165

IUPAC(1R,5R,7S)-2,6,6,9-tetramethyltricyclo[5.4.0.01,5]undec-8-ene
SMILESCC1=C[C@H]2C(C)(C)[C@H]3CCC(C)[C@]32CC1
InChIInChI=1S/C15H24/c1-10-7-8-15-11(2)5-6-12(15)14(3,4)13(15)9-10/h9,11-13H,5-8H2,1-4H3/t11?,12-,13+,15-/m1/s1
InChIKeyBWAXOYJGXIEEOE-VYHDIPPYSA-N
MW204.36 g/mol
LogP4.41
Rot. Bonds

About (1R,5R,7S)-2,6,6,9-tetramethyltricyclo[5.4.0.01,5]undec-8-ene

(1R,5R,7S)-2,6,6,9-tetramethyltricyclo[5.4.0.01,5]undec-8-ene (PubChem CID 91750165) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (1R,5R,7S)-2,6,6,9-tetramethyltricyclo[5.4.0.01,5]undec-8-ene.

Molecular Properties

Compound Name(1R,5R,7S)-2,6,6,9-tetramethyltricyclo[5.4.0.01,5]undec-8-ene
PubChem CID91750165
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(1R,5R,7S)-2,6,6,9-tetramethyltricyclo[5.4.0.01,5]undec-8-ene
SMILESCC1=C[C@H]2C(C)(C)[C@H]3CCC(C)[C@]32CC1
InChIInChI=1S/C15H24/c1-10-7-8-15-11(2)5-6-12(15)14(3,4)13(15)9-10/h9,11-13H,5-8H2,1-4H3/t11?,12-,13+,15-/m1/s1
InChIKeyBWAXOYJGXIEEOE-VYHDIPPYSA-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

(-)-Cedrene
CID 6431015
(3S,3aS,7S,8aS)-3,6,8,8-Tetramethyl-2,3,4,7,8,8a-hexahydro-1H-3a,7-methanoazulene
CID 1201552
Cedrene
CID 521207
alpha-Patchoulene
CID 521710
Delta(6)-protoilludene
CID 15939655
alpha-Panasinsene
CID 578929
Premnaspirodiene
CID 14355861
alpha-Acoradiene
CID 90351
(+)-2-Sterpurene
CID 10943609
(1beta,4alpha,5beta,6alpha,7alpha)-9-Aromadendrene
CID 13892025
beta-Acoradiene
CID 20055537
alpha-Bourbonene
CID 530816

Frequently Asked Questions

What is the IUPAC name of (1R,5R,7S)-2,6,6,9-tetramethyltricyclo[5.4.0.01,5]undec-8-ene?
The IUPAC name of (1R,5R,7S)-2,6,6,9-tetramethyltricyclo[5.4.0.01,5]undec-8-ene (CID 91750165) is (1R,5R,7S)-2,6,6,9-tetramethyltricyclo[5.4.0.01,5]undec-8-ene.
What is the SMILES notation for (1R,5R,7S)-2,6,6,9-tetramethyltricyclo[5.4.0.01,5]undec-8-ene?
The canonical SMILES for (1R,5R,7S)-2,6,6,9-tetramethyltricyclo[5.4.0.01,5]undec-8-ene is CC1=C[C@H]2C(C)(C)[C@H]3CCC(C)[C@]32CC1.
What is the InChIKey of (1R,5R,7S)-2,6,6,9-tetramethyltricyclo[5.4.0.01,5]undec-8-ene?
The InChIKey is BWAXOYJGXIEEOE-VYHDIPPYSA-N. The full InChI is InChI=1S/C15H24/c1-10-7-8-15-11(2)5-6-12(15)14(3,4)13(15)9-10/h9,11-13H,5-8H2,1-4H3/t11?,12-,13+,15-/m1/s1.
What are the key properties of (1R,5R,7S)-2,6,6,9-tetramethyltricyclo[5.4.0.01,5]undec-8-ene?
(1R,5R,7S)-2,6,6,9-tetramethyltricyclo[5.4.0.01,5]undec-8-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 (1R,5R,7S)-2,6,6,9-tetramethyltricyclo[5.4.0.01,5]undec-8-ene is sourced from PubChem (CID 91750165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).