(1S,2R,4S,7S,8R)-3,3,7,11-tetramethyltetracyclo[5.4.0.01,8.02,4]undec-10-ene

C15H22 — CID 163106075

IUPAC(1S,2R,4S,7S,8R)-3,3,7,11-tetramethyltetracyclo[5.4.0.01,8.02,4]undec-10-ene
SMILESCC1=CC[C@H]2[C@]13[C@@H]1[C@H](CC[C@@]23C)C1(C)C
InChIInChI=1S/C15H22/c1-9-5-6-11-14(4)8-7-10-12(13(10,2)3)15(9,11)14/h5,10-12H,6-8H2,1-4H3/t10-,11+,12+,14-,15-/m0/s1
InChIKeySYNYVXGDEQOMCB-HPYVJYLESA-N
MW202.34 g/mol
LogP4.02
Rot. Bonds

About (1S,2R,4S,7S,8R)-3,3,7,11-tetramethyltetracyclo[5.4.0.01,8.02,4]undec-10-ene

(1S,2R,4S,7S,8R)-3,3,7,11-tetramethyltetracyclo[5.4.0.01,8.02,4]undec-10-ene (PubChem CID 163106075) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is (1S,2R,4S,7S,8R)-3,3,7,11-tetramethyltetracyclo[5.4.0.01,8.02,4]undec-10-ene.

Molecular Properties

Compound Name(1S,2R,4S,7S,8R)-3,3,7,11-tetramethyltetracyclo[5.4.0.01,8.02,4]undec-10-ene
PubChem CID163106075
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name(1S,2R,4S,7S,8R)-3,3,7,11-tetramethyltetracyclo[5.4.0.01,8.02,4]undec-10-ene
SMILESCC1=CC[C@H]2[C@]13[C@@H]1[C@H](CC[C@@]23C)C1(C)C
InChIInChI=1S/C15H22/c1-9-5-6-11-14(4)8-7-10-12(13(10,2)3)15(9,11)14/h5,10-12H,6-8H2,1-4H3/t10-,11+,12+,14-,15-/m0/s1
InChIKeySYNYVXGDEQOMCB-HPYVJYLESA-N
XLogP4.02
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 ≤ 54.02
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,4S,7S,8R)-3,3,7,11-tetramethyltetracyclo[5.4.0.01,8.02,4]undec-10-ene?
The IUPAC name of (1S,2R,4S,7S,8R)-3,3,7,11-tetramethyltetracyclo[5.4.0.01,8.02,4]undec-10-ene (CID 163106075) is (1S,2R,4S,7S,8R)-3,3,7,11-tetramethyltetracyclo[5.4.0.01,8.02,4]undec-10-ene.
What is the SMILES notation for (1S,2R,4S,7S,8R)-3,3,7,11-tetramethyltetracyclo[5.4.0.01,8.02,4]undec-10-ene?
The canonical SMILES for (1S,2R,4S,7S,8R)-3,3,7,11-tetramethyltetracyclo[5.4.0.01,8.02,4]undec-10-ene is CC1=CC[C@H]2[C@]13[C@@H]1[C@H](CC[C@@]23C)C1(C)C.
What is the InChIKey of (1S,2R,4S,7S,8R)-3,3,7,11-tetramethyltetracyclo[5.4.0.01,8.02,4]undec-10-ene?
The InChIKey is SYNYVXGDEQOMCB-HPYVJYLESA-N. The full InChI is InChI=1S/C15H22/c1-9-5-6-11-14(4)8-7-10-12(13(10,2)3)15(9,11)14/h5,10-12H,6-8H2,1-4H3/t10-,11+,12+,14-,15-/m0/s1.
What are the key properties of (1S,2R,4S,7S,8R)-3,3,7,11-tetramethyltetracyclo[5.4.0.01,8.02,4]undec-10-ene?
(1S,2R,4S,7S,8R)-3,3,7,11-tetramethyltetracyclo[5.4.0.01,8.02,4]undec-10-ene has a molecular weight of 202.34 g/mol, XLogP of 4.02, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4S,7S,8R)-3,3,7,11-tetramethyltetracyclo[5.4.0.01,8.02,4]undec-10-ene is sourced from PubChem (CID 163106075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).