(2-deuterio-3,3-diethyl-4,4-dimethylpentan-2-yl)cyclohexane

C17H34 — CID 153286175

IUPAC(2-deuterio-3,3-diethyl-4,4-dimethylpentan-2-yl)cyclohexane
SMILES[2H]C(C)(C1CCCCC1)C(CC)(CC)C(C)(C)C
InChIInChI=1S/C17H34/c1-7-17(8-2,16(4,5)6)14(3)15-12-10-9-11-13-15/h14-15H,7-13H2,1-6H3/i14D
InChIKeyGBXFEVFHZNUXJL-FCFVPJCTSA-N
MW239.47 g/mol
LogP6.06
Rot. Bonds4

About (2-deuterio-3,3-diethyl-4,4-dimethylpentan-2-yl)cyclohexane

(2-deuterio-3,3-diethyl-4,4-dimethylpentan-2-yl)cyclohexane (PubChem CID 153286175) has the molecular formula C17H34 and a molecular weight of 239.47 g/mol. Its IUPAC name is (2-deuterio-3,3-diethyl-4,4-dimethylpentan-2-yl)cyclohexane.

Molecular Properties

Compound Name(2-deuterio-3,3-diethyl-4,4-dimethylpentan-2-yl)cyclohexane
PubChem CID153286175
Molecular FormulaC17H34
Molecular Weight239.47 g/mol
Exact Mass239.27
IUPAC Name(2-deuterio-3,3-diethyl-4,4-dimethylpentan-2-yl)cyclohexane
SMILES[2H]C(C)(C1CCCCC1)C(CC)(CC)C(C)(C)C
InChIInChI=1S/C17H34/c1-7-17(8-2,16(4,5)6)14(3)15-12-10-9-11-13-15/h14-15H,7-13H2,1-6H3/i14D
InChIKeyGBXFEVFHZNUXJL-FCFVPJCTSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.47
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (2-deuterio-3,3-diethyl-4,4-dimethylpentan-2-yl)cyclohexane?
The IUPAC name of (2-deuterio-3,3-diethyl-4,4-dimethylpentan-2-yl)cyclohexane (CID 153286175) is (2-deuterio-3,3-diethyl-4,4-dimethylpentan-2-yl)cyclohexane.
What is the SMILES notation for (2-deuterio-3,3-diethyl-4,4-dimethylpentan-2-yl)cyclohexane?
The canonical SMILES for (2-deuterio-3,3-diethyl-4,4-dimethylpentan-2-yl)cyclohexane is [2H]C(C)(C1CCCCC1)C(CC)(CC)C(C)(C)C.
What is the InChIKey of (2-deuterio-3,3-diethyl-4,4-dimethylpentan-2-yl)cyclohexane?
The InChIKey is GBXFEVFHZNUXJL-FCFVPJCTSA-N. The full InChI is InChI=1S/C17H34/c1-7-17(8-2,16(4,5)6)14(3)15-12-10-9-11-13-15/h14-15H,7-13H2,1-6H3/i14D.
What are the key properties of (2-deuterio-3,3-diethyl-4,4-dimethylpentan-2-yl)cyclohexane?
(2-deuterio-3,3-diethyl-4,4-dimethylpentan-2-yl)cyclohexane has a molecular weight of 239.47 g/mol, XLogP of 6.06, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-deuterio-3,3-diethyl-4,4-dimethylpentan-2-yl)cyclohexane is sourced from PubChem (CID 153286175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).