(5R)-2,6,6-trimethylbicyclo[3.1.1]hept-1-ene

C10H16 — CID 55250694

IUPAC(5R)-2,6,6-trimethylbicyclo[3.1.1]hept-1-ene
SMILESCC1=C2C[C@@H](CC1)C2(C)C
InChIInChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8H,4-6H2,1-3H3/t8-/m1/s1
InChIKeyNDUIFQPPDDOKRN-MRVPVSSYSA-N
MW136.24 g/mol
LogP3.14
Rot. Bonds

About (5R)-2,6,6-trimethylbicyclo[3.1.1]hept-1-ene

(5R)-2,6,6-trimethylbicyclo[3.1.1]hept-1-ene (PubChem CID 55250694) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is (5R)-2,6,6-trimethylbicyclo[3.1.1]hept-1-ene.

Molecular Properties

Compound Name(5R)-2,6,6-trimethylbicyclo[3.1.1]hept-1-ene
PubChem CID55250694
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name(5R)-2,6,6-trimethylbicyclo[3.1.1]hept-1-ene
SMILESCC1=C2C[C@@H](CC1)C2(C)C
InChIInChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8H,4-6H2,1-3H3/t8-/m1/s1
InChIKeyNDUIFQPPDDOKRN-MRVPVSSYSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.14
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 (5R)-2,6,6-trimethylbicyclo[3.1.1]hept-1-ene?
The IUPAC name of (5R)-2,6,6-trimethylbicyclo[3.1.1]hept-1-ene (CID 55250694) is (5R)-2,6,6-trimethylbicyclo[3.1.1]hept-1-ene.
What is the SMILES notation for (5R)-2,6,6-trimethylbicyclo[3.1.1]hept-1-ene?
The canonical SMILES for (5R)-2,6,6-trimethylbicyclo[3.1.1]hept-1-ene is CC1=C2C[C@@H](CC1)C2(C)C.
What is the InChIKey of (5R)-2,6,6-trimethylbicyclo[3.1.1]hept-1-ene?
The InChIKey is NDUIFQPPDDOKRN-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8H,4-6H2,1-3H3/t8-/m1/s1.
What are the key properties of (5R)-2,6,6-trimethylbicyclo[3.1.1]hept-1-ene?
(5R)-2,6,6-trimethylbicyclo[3.1.1]hept-1-ene has a molecular weight of 136.24 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2,6,6-trimethylbicyclo[3.1.1]hept-1-ene is sourced from PubChem (CID 55250694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).