2,5-dimethyl-4-(2-nitrosobut-3-enyl)cyclohexan-1-ol

C12H21NO2 — CID 142051752

IUPAC2,5-dimethyl-4-(2-nitrosobut-3-enyl)cyclohexan-1-ol
SMILESC=CC(CC1CC(C)C(O)CC1C)N=O
InChIInChI=1S/C12H21NO2/c1-4-11(13-15)7-10-5-9(3)12(14)6-8(10)2/h4,8-12,14H,1,5-7H2,2-3H3
InChIKeyRTGITGBRYOVGKO-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.74
Rot. Bonds4

About 2,5-dimethyl-4-(2-nitrosobut-3-enyl)cyclohexan-1-ol

2,5-dimethyl-4-(2-nitrosobut-3-enyl)cyclohexan-1-ol (PubChem CID 142051752) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 2,5-dimethyl-4-(2-nitrosobut-3-enyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2,5-dimethyl-4-(2-nitrosobut-3-enyl)cyclohexan-1-ol
PubChem CID142051752
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name2,5-dimethyl-4-(2-nitrosobut-3-enyl)cyclohexan-1-ol
SMILESC=CC(CC1CC(C)C(O)CC1C)N=O
InChIInChI=1S/C12H21NO2/c1-4-11(13-15)7-10-5-9(3)12(14)6-8(10)2/h4,8-12,14H,1,5-7H2,2-3H3
InChIKeyRTGITGBRYOVGKO-UHFFFAOYSA-N
XLogP2.74
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(2-nitrosobut-3-enyl)cyclohexan-1-ol?
The IUPAC name of 2,5-dimethyl-4-(2-nitrosobut-3-enyl)cyclohexan-1-ol (CID 142051752) is 2,5-dimethyl-4-(2-nitrosobut-3-enyl)cyclohexan-1-ol.
What is the SMILES notation for 2,5-dimethyl-4-(2-nitrosobut-3-enyl)cyclohexan-1-ol?
The canonical SMILES for 2,5-dimethyl-4-(2-nitrosobut-3-enyl)cyclohexan-1-ol is C=CC(CC1CC(C)C(O)CC1C)N=O.
What is the InChIKey of 2,5-dimethyl-4-(2-nitrosobut-3-enyl)cyclohexan-1-ol?
The InChIKey is RTGITGBRYOVGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-4-11(13-15)7-10-5-9(3)12(14)6-8(10)2/h4,8-12,14H,1,5-7H2,2-3H3.
What are the key properties of 2,5-dimethyl-4-(2-nitrosobut-3-enyl)cyclohexan-1-ol?
2,5-dimethyl-4-(2-nitrosobut-3-enyl)cyclohexan-1-ol has a molecular weight of 211.30 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-(2-nitrosobut-3-enyl)cyclohexan-1-ol is sourced from PubChem (CID 142051752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).