(1R,5R)-2-(dideuterio(113C)methylidene)-6,6-dimethylbicyclo[3.1.1]heptane

C10H16 — CID 169445693

IUPAC(1R,5R)-2-(dideuterio(113C)methylidene)-6,6-dimethylbicyclo[3.1.1]heptane
SMILES[2H][13C]([2H])=C1CC[C@@H]2C[C@H]1C2(C)C
InChIInChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9-/m1/s1/i1+1D2
InChIKeyWTARULDDTDQWMU-CWHRLJIVSA-N
MW139.24 g/mol
LogP3.00
Rot. Bonds

About (1R,5R)-2-(dideuterio(113C)methylidene)-6,6-dimethylbicyclo[3.1.1]heptane

(1R,5R)-2-(dideuterio(113C)methylidene)-6,6-dimethylbicyclo[3.1.1]heptane (PubChem CID 169445693) has the molecular formula C10H16 and a molecular weight of 139.24 g/mol. Its IUPAC name is (1R,5R)-2-(dideuterio(113C)methylidene)-6,6-dimethylbicyclo[3.1.1]heptane.

Molecular Properties

Compound Name(1R,5R)-2-(dideuterio(113C)methylidene)-6,6-dimethylbicyclo[3.1.1]heptane
PubChem CID169445693
Molecular FormulaC10H16
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(1R,5R)-2-(dideuterio(113C)methylidene)-6,6-dimethylbicyclo[3.1.1]heptane
SMILES[2H][13C]([2H])=C1CC[C@@H]2C[C@H]1C2(C)C
InChIInChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9-/m1/s1/i1+1D2
InChIKeyWTARULDDTDQWMU-CWHRLJIVSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 53.00
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 (1R,5R)-2-(dideuterio(113C)methylidene)-6,6-dimethylbicyclo[3.1.1]heptane?
The IUPAC name of (1R,5R)-2-(dideuterio(113C)methylidene)-6,6-dimethylbicyclo[3.1.1]heptane (CID 169445693) is (1R,5R)-2-(dideuterio(113C)methylidene)-6,6-dimethylbicyclo[3.1.1]heptane.
What is the SMILES notation for (1R,5R)-2-(dideuterio(113C)methylidene)-6,6-dimethylbicyclo[3.1.1]heptane?
The canonical SMILES for (1R,5R)-2-(dideuterio(113C)methylidene)-6,6-dimethylbicyclo[3.1.1]heptane is [2H][13C]([2H])=C1CC[C@@H]2C[C@H]1C2(C)C.
What is the InChIKey of (1R,5R)-2-(dideuterio(113C)methylidene)-6,6-dimethylbicyclo[3.1.1]heptane?
The InChIKey is WTARULDDTDQWMU-CWHRLJIVSA-N. The full InChI is InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9-/m1/s1/i1+1D2.
What are the key properties of (1R,5R)-2-(dideuterio(113C)methylidene)-6,6-dimethylbicyclo[3.1.1]heptane?
(1R,5R)-2-(dideuterio(113C)methylidene)-6,6-dimethylbicyclo[3.1.1]heptane has a molecular weight of 139.24 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-2-(dideuterio(113C)methylidene)-6,6-dimethylbicyclo[3.1.1]heptane is sourced from PubChem (CID 169445693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).