(1S,6R,9R)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecane

C15H26 — CID 162940691

IUPAC(1S,6R,9R)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecane
SMILESC=C1CCC[C@@H](C)CC[C@@H]2[C@@H]1CC2(C)C
InChIInChI=1S/C15H26/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h11,13-14H,2,5-10H2,1,3-4H3/t11-,13-,14-/m1/s1
InChIKeyFEPFBYIDQQERDD-MRVWCRGKSA-N
MW206.37 g/mol
LogP4.81
Rot. Bonds

About (1S,6R,9R)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecane

(1S,6R,9R)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecane (PubChem CID 162940691) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is (1S,6R,9R)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecane.

Molecular Properties

Compound Name(1S,6R,9R)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecane
PubChem CID162940691
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name(1S,6R,9R)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecane
SMILESC=C1CCC[C@@H](C)CC[C@@H]2[C@@H]1CC2(C)C
InChIInChI=1S/C15H26/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h11,13-14H,2,5-10H2,1,3-4H3/t11-,13-,14-/m1/s1
InChIKeyFEPFBYIDQQERDD-MRVWCRGKSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.37
LogP ≤ 54.81
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,6R,9R)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecane?
The IUPAC name of (1S,6R,9R)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecane (CID 162940691) is (1S,6R,9R)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecane.
What is the SMILES notation for (1S,6R,9R)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecane?
The canonical SMILES for (1S,6R,9R)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecane is C=C1CCC[C@@H](C)CC[C@@H]2[C@@H]1CC2(C)C.
What is the InChIKey of (1S,6R,9R)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecane?
The InChIKey is FEPFBYIDQQERDD-MRVWCRGKSA-N. The full InChI is InChI=1S/C15H26/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h11,13-14H,2,5-10H2,1,3-4H3/t11-,13-,14-/m1/s1.
What are the key properties of (1S,6R,9R)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecane?
(1S,6R,9R)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecane has a molecular weight of 206.37 g/mol, XLogP of 4.81, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R,9R)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecane is sourced from PubChem (CID 162940691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).