(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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Related Compounds

(5S)-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;ethane;2-methylprop-2-enal
CID 144949863
6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane
CID 175675689
(1S)-6,6-dimethylbicyclo[3.1.1]heptan-2-one
CID 58065052
(6,6-dimethyl-2-bicyclo[3.1.1]heptanylidene)methanone
CID 123486756
(E)-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanylidene]hydrazine
CID 90476379
2-methylidenebicyclo[3.1.1]heptane;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene
CID 170851609
CID 134861256
CID 134861256
dichloropalladium;6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-2-ol;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene
CID 126843352
6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;5-hydroxy-4-propoxycarbonylpenta-2,4-dienoic acid;methyl prop-2-enoate
CID 87461005
(1R,5R)-6,6-dimethylbicyclo[3.1.1]heptane
CID 91146278
(1S,3E,7E,11R)-4,8,15,15-tetramethyl-12-methylidenebicyclo[9.3.1]pentadeca-3,7-diene
CID 15939522
7,7-dimethyl-2-oxabicyclo[4.1.1]octan-3-one
CID 71343638

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).