2-(4,4-dimethylcyclohexyl)oxypentanehydrazide

C13H26N2O2 — CID 114342660

IUPAC2-(4,4-dimethylcyclohexyl)oxypentanehydrazide
SMILESCCCC(OC1CCC(C)(C)CC1)C(=O)NN
InChIInChI=1S/C13H26N2O2/c1-4-5-11(12(16)15-14)17-10-6-8-13(2,3)9-7-10/h10-11H,4-9,14H2,1-3H3,(H,15,16)
InChIKeyVRIGCHRPQFJMEV-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.13
Rot. Bonds5

About 2-(4,4-dimethylcyclohexyl)oxypentanehydrazide

2-(4,4-dimethylcyclohexyl)oxypentanehydrazide (PubChem CID 114342660) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-(4,4-dimethylcyclohexyl)oxypentanehydrazide.

Molecular Properties

Compound Name2-(4,4-dimethylcyclohexyl)oxypentanehydrazide
PubChem CID114342660
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-(4,4-dimethylcyclohexyl)oxypentanehydrazide
SMILESCCCC(OC1CCC(C)(C)CC1)C(=O)NN
InChIInChI=1S/C13H26N2O2/c1-4-5-11(12(16)15-14)17-10-6-8-13(2,3)9-7-10/h10-11H,4-9,14H2,1-3H3,(H,15,16)
InChIKeyVRIGCHRPQFJMEV-UHFFFAOYSA-N
XLogP2.13
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(4,4-dimethylcyclohexyl)oxybutanoate
CID 114340349
ethyl 2-(4,4-dimethylcyclohexyl)oxy-2-fluoroacetate
CID 114340350
2-(3,4-dimethylcyclohexyl)oxybutanehydrazide
CID 64739542
2-aminooxydodecanehydrazide
CID 19105405
(4S)-4-cyclopentyloxy-2-methylheptan-3-one
CID 176614620
ethyl 2-piperidin-4-yloxypentanoate
CID 106939245
2-[2-(3-methoxypropoxy)ethoxy]pentanehydrazide
CID 103175980
methyl 2-cyclopropyl-2-(4,4-dimethylcyclohexyl)oxyacetate
CID 114340336
(4,4-dimethylcyclohexyl) 4-(2-aminoethyl)heptanoate
CID 114341582
methyl 2-cyclopropyloxybutanoate
CID 175037887
2-(1-methoxypropan-2-yloxy)pentanehydrazide
CID 83047017
N-(4,4-dimethylcyclohexyl)-2-methoxypropanamide
CID 115647055

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylcyclohexyl)oxypentanehydrazide?
The IUPAC name of 2-(4,4-dimethylcyclohexyl)oxypentanehydrazide (CID 114342660) is 2-(4,4-dimethylcyclohexyl)oxypentanehydrazide.
What is the SMILES notation for 2-(4,4-dimethylcyclohexyl)oxypentanehydrazide?
The canonical SMILES for 2-(4,4-dimethylcyclohexyl)oxypentanehydrazide is CCCC(OC1CCC(C)(C)CC1)C(=O)NN.
What is the InChIKey of 2-(4,4-dimethylcyclohexyl)oxypentanehydrazide?
The InChIKey is VRIGCHRPQFJMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-5-11(12(16)15-14)17-10-6-8-13(2,3)9-7-10/h10-11H,4-9,14H2,1-3H3,(H,15,16).
What are the key properties of 2-(4,4-dimethylcyclohexyl)oxypentanehydrazide?
2-(4,4-dimethylcyclohexyl)oxypentanehydrazide has a molecular weight of 242.36 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylcyclohexyl)oxypentanehydrazide is sourced from PubChem (CID 114342660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).