(3R)-5-methyl-1-nitroso-3-propan-2-ylhexane

C10H21NO — CID 173492968

IUPAC(3R)-5-methyl-1-nitroso-3-propan-2-ylhexane
SMILESCC(C)C[C@H](CCN=O)C(C)C
InChIInChI=1S/C10H21NO/c1-8(2)7-10(9(3)4)5-6-11-12/h8-10H,5-7H2,1-4H3/t10-/m0/s1
InChIKeyJHUIJCLCDXYBDD-JTQLQIEISA-N
MW171.28 g/mol
LogP3.46
Rot. Bonds6

About (3R)-5-methyl-1-nitroso-3-propan-2-ylhexane

(3R)-5-methyl-1-nitroso-3-propan-2-ylhexane (PubChem CID 173492968) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (3R)-5-methyl-1-nitroso-3-propan-2-ylhexane.

Molecular Properties

Compound Name(3R)-5-methyl-1-nitroso-3-propan-2-ylhexane
PubChem CID173492968
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(3R)-5-methyl-1-nitroso-3-propan-2-ylhexane
SMILESCC(C)C[C@H](CCN=O)C(C)C
InChIInChI=1S/C10H21NO/c1-8(2)7-10(9(3)4)5-6-11-12/h8-10H,5-7H2,1-4H3/t10-/m0/s1
InChIKeyJHUIJCLCDXYBDD-JTQLQIEISA-N
XLogP3.46
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-propan-2-ylheptane
CID 21201044
2,13-dimethyl-4-propan-2-yltetradecane
CID 140816601
7-methyl-5-propan-2-yloctan-1-ol
CID 143448333
8-methyl-1-nitrosononane
CID 163867680
2,14-dimethyl-7,9-di(propan-2-yl)pentadecane
CID 158451501
2,4-dimethyl-1-nitrosopentane
CID 143544578
(3S)-3-(methoxymethyl)-2,5-dimethylhexane
CID 121338192
(3S)-2,5-dimethyl-3-[[3-methyl-2-[[(2R)-4-methyl-2-propan-2-ylpentoxy]methyl]butoxy]methyl]hexane
CID 87692911
5-methyl-2-nitroso-3-propan-2-ylhex-1-ene
CID 167256004
4,4,5,5,6,6,7-heptamethyl-1-nitroso-3-propan-2-yloctane
CID 137490874
2,4,9,11,13,15,20,22-octamethyl-7,17-di(propan-2-yl)tricosan-12-one
CID 174871852
bis(3-ethyl-2,5-dimethylhexane);2,3,5-trimethylhexane
CID 158124922

Frequently Asked Questions

What is the IUPAC name of (3R)-5-methyl-1-nitroso-3-propan-2-ylhexane?
The IUPAC name of (3R)-5-methyl-1-nitroso-3-propan-2-ylhexane (CID 173492968) is (3R)-5-methyl-1-nitroso-3-propan-2-ylhexane.
What is the SMILES notation for (3R)-5-methyl-1-nitroso-3-propan-2-ylhexane?
The canonical SMILES for (3R)-5-methyl-1-nitroso-3-propan-2-ylhexane is CC(C)C[C@H](CCN=O)C(C)C.
What is the InChIKey of (3R)-5-methyl-1-nitroso-3-propan-2-ylhexane?
The InChIKey is JHUIJCLCDXYBDD-JTQLQIEISA-N. The full InChI is InChI=1S/C10H21NO/c1-8(2)7-10(9(3)4)5-6-11-12/h8-10H,5-7H2,1-4H3/t10-/m0/s1.
What are the key properties of (3R)-5-methyl-1-nitroso-3-propan-2-ylhexane?
(3R)-5-methyl-1-nitroso-3-propan-2-ylhexane has a molecular weight of 171.28 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-methyl-1-nitroso-3-propan-2-ylhexane is sourced from PubChem (CID 173492968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).