2-(1,1-dideuterio-2,2-dimethylpropyl)tricyclo[4.4.0.03,8]decane

C15H26 — CID 153435429

IUPAC2-(1,1-dideuterio-2,2-dimethylpropyl)tricyclo[4.4.0.03,8]decane
SMILES[2H]C([2H])(C1C2CCC3CC2CCC31)C(C)(C)C
InChIInChI=1S/C15H26/c1-15(2,3)9-14-12-6-4-10-8-11(12)5-7-13(10)14/h10-14H,4-9H2,1-3H3/i9D2
InChIKeySDDWGHRGDIBUIK-KNXIQCGSSA-N
MW208.39 g/mol
LogP4.49
Rot. Bonds1

About 2-(1,1-dideuterio-2,2-dimethylpropyl)tricyclo[4.4.0.03,8]decane

2-(1,1-dideuterio-2,2-dimethylpropyl)tricyclo[4.4.0.03,8]decane (PubChem CID 153435429) has the molecular formula C15H26 and a molecular weight of 208.39 g/mol. Its IUPAC name is 2-(1,1-dideuterio-2,2-dimethylpropyl)tricyclo[4.4.0.03,8]decane.

Molecular Properties

Compound Name2-(1,1-dideuterio-2,2-dimethylpropyl)tricyclo[4.4.0.03,8]decane
PubChem CID153435429
Molecular FormulaC15H26
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name2-(1,1-dideuterio-2,2-dimethylpropyl)tricyclo[4.4.0.03,8]decane
SMILES[2H]C([2H])(C1C2CCC3CC2CCC31)C(C)(C)C
InChIInChI=1S/C15H26/c1-15(2,3)9-14-12-6-4-10-8-11(12)5-7-13(10)14/h10-14H,4-9H2,1-3H3/i9D2
InChIKeySDDWGHRGDIBUIK-KNXIQCGSSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.39
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9-(1,1-dideuterio-2,2-dimethylpropyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 140778080
7-(2,2-dimethylpropyl)bicyclo[2.2.1]heptane
CID 58592691
(1S,2S,4S,5S)-tricyclo[3.2.1.02,4]octane
CID 124938048
1-(1,1-dideuterio-2,2-dimethylpropyl)-4-methylcyclohexane
CID 165161493
(7S)-7-ethyl-2-methylbicyclo[2.2.1]heptane
CID 144532112
tricyclo[3.3.0.02,7]octane
CID 13112141
ethane;tricyclo[4.4.0.02,8]decane
CID 91556011
5-(2,2-dimethylpropyl)-3,4-diazatricyclo[6.2.1.02,7]undecane
CID 141194212
3,5-bis(2,2-dimethylpropyl)tricyclo[5.2.1.02,6]decane
CID 144521814
1-tert-butyl-2-(1,1-dideuterio-2,2-dimethylpropyl)pyrrolidine
CID 172515405
(2S)-2-ethylbicyclo[2.2.0]hexane
CID 143524617
5-tert-butylbicyclo[2.1.1]hexane
CID 140587712

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dideuterio-2,2-dimethylpropyl)tricyclo[4.4.0.03,8]decane?
The IUPAC name of 2-(1,1-dideuterio-2,2-dimethylpropyl)tricyclo[4.4.0.03,8]decane (CID 153435429) is 2-(1,1-dideuterio-2,2-dimethylpropyl)tricyclo[4.4.0.03,8]decane.
What is the SMILES notation for 2-(1,1-dideuterio-2,2-dimethylpropyl)tricyclo[4.4.0.03,8]decane?
The canonical SMILES for 2-(1,1-dideuterio-2,2-dimethylpropyl)tricyclo[4.4.0.03,8]decane is [2H]C([2H])(C1C2CCC3CC2CCC31)C(C)(C)C.
What is the InChIKey of 2-(1,1-dideuterio-2,2-dimethylpropyl)tricyclo[4.4.0.03,8]decane?
The InChIKey is SDDWGHRGDIBUIK-KNXIQCGSSA-N. The full InChI is InChI=1S/C15H26/c1-15(2,3)9-14-12-6-4-10-8-11(12)5-7-13(10)14/h10-14H,4-9H2,1-3H3/i9D2.
What are the key properties of 2-(1,1-dideuterio-2,2-dimethylpropyl)tricyclo[4.4.0.03,8]decane?
2-(1,1-dideuterio-2,2-dimethylpropyl)tricyclo[4.4.0.03,8]decane has a molecular weight of 208.39 g/mol, XLogP of 4.49, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dideuterio-2,2-dimethylpropyl)tricyclo[4.4.0.03,8]decane is sourced from PubChem (CID 153435429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).