2-(2-deuteriopropan-2-yl)bicyclo[2.1.1]hexane

C9H16 — CID 153320266

IUPAC2-(2-deuteriopropan-2-yl)bicyclo[2.1.1]hexane
SMILES[2H]C(C)(C)C1CC2CC1C2
InChIInChI=1S/C9H16/c1-6(2)9-5-7-3-8(9)4-7/h6-9H,3-5H2,1-2H3/i6D
InChIKeyVFCUKGXKSPQCPX-RAMDWTOOSA-N
MW125.23 g/mol
LogP2.69
Rot. Bonds1

About 2-(2-deuteriopropan-2-yl)bicyclo[2.1.1]hexane

2-(2-deuteriopropan-2-yl)bicyclo[2.1.1]hexane (PubChem CID 153320266) has the molecular formula C9H16 and a molecular weight of 125.23 g/mol. Its IUPAC name is 2-(2-deuteriopropan-2-yl)bicyclo[2.1.1]hexane.

Molecular Properties

Compound Name2-(2-deuteriopropan-2-yl)bicyclo[2.1.1]hexane
PubChem CID153320266
Molecular FormulaC9H16
Molecular Weight125.23 g/mol
Exact Mass125.13
IUPAC Name2-(2-deuteriopropan-2-yl)bicyclo[2.1.1]hexane
SMILES[2H]C(C)(C)C1CC2CC1C2
InChIInChI=1S/C9H16/c1-6(2)9-5-7-3-8(9)4-7/h6-9H,3-5H2,1-2H3/i6D
InChIKeyVFCUKGXKSPQCPX-RAMDWTOOSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.23
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(2-deuteriopropan-2-yl)bicyclo[2.1.1]hexane?
The IUPAC name of 2-(2-deuteriopropan-2-yl)bicyclo[2.1.1]hexane (CID 153320266) is 2-(2-deuteriopropan-2-yl)bicyclo[2.1.1]hexane.
What is the SMILES notation for 2-(2-deuteriopropan-2-yl)bicyclo[2.1.1]hexane?
The canonical SMILES for 2-(2-deuteriopropan-2-yl)bicyclo[2.1.1]hexane is [2H]C(C)(C)C1CC2CC1C2.
What is the InChIKey of 2-(2-deuteriopropan-2-yl)bicyclo[2.1.1]hexane?
The InChIKey is VFCUKGXKSPQCPX-RAMDWTOOSA-N. The full InChI is InChI=1S/C9H16/c1-6(2)9-5-7-3-8(9)4-7/h6-9H,3-5H2,1-2H3/i6D.
What are the key properties of 2-(2-deuteriopropan-2-yl)bicyclo[2.1.1]hexane?
2-(2-deuteriopropan-2-yl)bicyclo[2.1.1]hexane has a molecular weight of 125.23 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-deuteriopropan-2-yl)bicyclo[2.1.1]hexane is sourced from PubChem (CID 153320266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).