(1S,2R,5R,8R,9S)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undec-3-ene

C15H24 — CID 91749831

IUPAC(1S,2R,5R,8R,9S)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undec-3-ene
SMILESCC1=C[C@@]2(C)CC[C@@H]3[C@@H](C)CC[C@@]32[C@@H]1C
InChIInChI=1S/C15H24/c1-10-5-8-15-12(3)11(2)9-14(15,4)7-6-13(10)15/h9-10,12-13H,5-8H2,1-4H3/t10-,12+,13+,14+,15+/m0/s1
InChIKeyOVRIZVNVMIWWMN-URWOTSEESA-N
MW204.36 g/mol
LogP4.41
Rot. Bonds

About (1S,2R,5R,8R,9S)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undec-3-ene

(1S,2R,5R,8R,9S)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undec-3-ene (PubChem CID 91749831) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (1S,2R,5R,8R,9S)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undec-3-ene.

Molecular Properties

Compound Name(1S,2R,5R,8R,9S)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undec-3-ene
PubChem CID91749831
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(1S,2R,5R,8R,9S)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undec-3-ene
SMILESCC1=C[C@@]2(C)CC[C@@H]3[C@@H](C)CC[C@@]32[C@@H]1C
InChIInChI=1S/C15H24/c1-10-5-8-15-12(3)11(2)9-14(15,4)7-6-13(10)15/h9-10,12-13H,5-8H2,1-4H3/t10-,12+,13+,14+,15+/m0/s1
InChIKeyOVRIZVNVMIWWMN-URWOTSEESA-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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Frequently Asked Questions

What is the IUPAC name of (1S,2R,5R,8R,9S)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undec-3-ene?
The IUPAC name of (1S,2R,5R,8R,9S)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undec-3-ene (CID 91749831) is (1S,2R,5R,8R,9S)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undec-3-ene.
What is the SMILES notation for (1S,2R,5R,8R,9S)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undec-3-ene?
The canonical SMILES for (1S,2R,5R,8R,9S)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undec-3-ene is CC1=C[C@@]2(C)CC[C@@H]3[C@@H](C)CC[C@@]32[C@@H]1C.
What is the InChIKey of (1S,2R,5R,8R,9S)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undec-3-ene?
The InChIKey is OVRIZVNVMIWWMN-URWOTSEESA-N. The full InChI is InChI=1S/C15H24/c1-10-5-8-15-12(3)11(2)9-14(15,4)7-6-13(10)15/h9-10,12-13H,5-8H2,1-4H3/t10-,12+,13+,14+,15+/m0/s1.
What are the key properties of (1S,2R,5R,8R,9S)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undec-3-ene?
(1S,2R,5R,8R,9S)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undec-3-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,9S)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undec-3-ene is sourced from PubChem (CID 91749831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).