(1S,5S)-2,6-dimethylidenebicyclo[3.3.2]decane

C12H18 — CID 11051974

IUPAC(1S,5S)-2,6-dimethylidenebicyclo[3.3.2]decane
SMILESC=C1CC[C@@H]2CC[C@H]1CCC2=C
InChIInChI=1S/C12H18/c1-9-3-5-12-8-7-11(9)6-4-10(12)2/h11-12H,1-8H2/t11-,12-/m1/s1
InChIKeyUZTQQILWXFHTLT-VXGBXAGGSA-N
MW162.28 g/mol
LogP3.70
Rot. Bonds

About (1S,5S)-2,6-dimethylidenebicyclo[3.3.2]decane

(1S,5S)-2,6-dimethylidenebicyclo[3.3.2]decane (PubChem CID 11051974) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is (1S,5S)-2,6-dimethylidenebicyclo[3.3.2]decane.

Molecular Properties

Compound Name(1S,5S)-2,6-dimethylidenebicyclo[3.3.2]decane
PubChem CID11051974
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name(1S,5S)-2,6-dimethylidenebicyclo[3.3.2]decane
SMILESC=C1CC[C@@H]2CC[C@H]1CCC2=C
InChIInChI=1S/C12H18/c1-9-3-5-12-8-7-11(9)6-4-10(12)2/h11-12H,1-8H2/t11-,12-/m1/s1
InChIKeyUZTQQILWXFHTLT-VXGBXAGGSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.70
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,5S)-2,6-dimethylidenebicyclo[3.3.2]decane?
The IUPAC name of (1S,5S)-2,6-dimethylidenebicyclo[3.3.2]decane (CID 11051974) is (1S,5S)-2,6-dimethylidenebicyclo[3.3.2]decane.
What is the SMILES notation for (1S,5S)-2,6-dimethylidenebicyclo[3.3.2]decane?
The canonical SMILES for (1S,5S)-2,6-dimethylidenebicyclo[3.3.2]decane is C=C1CC[C@@H]2CC[C@H]1CCC2=C.
What is the InChIKey of (1S,5S)-2,6-dimethylidenebicyclo[3.3.2]decane?
The InChIKey is UZTQQILWXFHTLT-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H18/c1-9-3-5-12-8-7-11(9)6-4-10(12)2/h11-12H,1-8H2/t11-,12-/m1/s1.
What are the key properties of (1S,5S)-2,6-dimethylidenebicyclo[3.3.2]decane?
(1S,5S)-2,6-dimethylidenebicyclo[3.3.2]decane has a molecular weight of 162.28 g/mol, XLogP of 3.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-2,6-dimethylidenebicyclo[3.3.2]decane is sourced from PubChem (CID 11051974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).