(4-methyl-2-nitrosohexan-2-yl)cycloheptane

C14H27NO — CID 146428469

IUPAC(4-methyl-2-nitrosohexan-2-yl)cycloheptane
SMILESCCC(C)CC(C)(N=O)C1CCCCCC1
InChIInChI=1S/C14H27NO/c1-4-12(2)11-14(3,15-16)13-9-7-5-6-8-10-13/h12-13H,4-11H2,1-3H3
InChIKeyXFMQFRPULVMLTE-UHFFFAOYSA-N
MW225.38 g/mol
LogP4.92
Rot. Bonds5

About (4-methyl-2-nitrosohexan-2-yl)cycloheptane

(4-methyl-2-nitrosohexan-2-yl)cycloheptane (PubChem CID 146428469) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is (4-methyl-2-nitrosohexan-2-yl)cycloheptane.

Molecular Properties

Compound Name(4-methyl-2-nitrosohexan-2-yl)cycloheptane
PubChem CID146428469
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name(4-methyl-2-nitrosohexan-2-yl)cycloheptane
SMILESCCC(C)CC(C)(N=O)C1CCCCCC1
InChIInChI=1S/C14H27NO/c1-4-12(2)11-14(3,15-16)13-9-7-5-6-8-10-13/h12-13H,4-11H2,1-3H3
InChIKeyXFMQFRPULVMLTE-UHFFFAOYSA-N
XLogP4.92
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-nitrosohexan-2-yl)cycloheptane?
The IUPAC name of (4-methyl-2-nitrosohexan-2-yl)cycloheptane (CID 146428469) is (4-methyl-2-nitrosohexan-2-yl)cycloheptane.
What is the SMILES notation for (4-methyl-2-nitrosohexan-2-yl)cycloheptane?
The canonical SMILES for (4-methyl-2-nitrosohexan-2-yl)cycloheptane is CCC(C)CC(C)(N=O)C1CCCCCC1.
What is the InChIKey of (4-methyl-2-nitrosohexan-2-yl)cycloheptane?
The InChIKey is XFMQFRPULVMLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-4-12(2)11-14(3,15-16)13-9-7-5-6-8-10-13/h12-13H,4-11H2,1-3H3.
What are the key properties of (4-methyl-2-nitrosohexan-2-yl)cycloheptane?
(4-methyl-2-nitrosohexan-2-yl)cycloheptane has a molecular weight of 225.38 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-nitrosohexan-2-yl)cycloheptane is sourced from PubChem (CID 146428469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).