1,2,3,3-tetramethyl-4-nitroso-1-propylcyclohexane

C13H25NO — CID 123439057

IUPAC1,2,3,3-tetramethyl-4-nitroso-1-propylcyclohexane
SMILESCCCC1(C)CCC(N=O)C(C)(C)C1C
InChIInChI=1S/C13H25NO/c1-6-8-13(5)9-7-11(14-15)12(3,4)10(13)2/h10-11H,6-9H2,1-5H3
InChIKeyMSHCNLBPNVOOIQ-UHFFFAOYSA-N
MW211.35 g/mol
LogP4.38
Rot. Bonds3

About 1,2,3,3-tetramethyl-4-nitroso-1-propylcyclohexane

1,2,3,3-tetramethyl-4-nitroso-1-propylcyclohexane (PubChem CID 123439057) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1,2,3,3-tetramethyl-4-nitroso-1-propylcyclohexane.

Molecular Properties

Compound Name1,2,3,3-tetramethyl-4-nitroso-1-propylcyclohexane
PubChem CID123439057
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1,2,3,3-tetramethyl-4-nitroso-1-propylcyclohexane
SMILESCCCC1(C)CCC(N=O)C(C)(C)C1C
InChIInChI=1S/C13H25NO/c1-6-8-13(5)9-7-11(14-15)12(3,4)10(13)2/h10-11H,6-9H2,1-5H3
InChIKeyMSHCNLBPNVOOIQ-UHFFFAOYSA-N
XLogP4.38
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-propylcyclobutan-1-ol
CID 89040523
1,2,3-trimethyl-1-propylcyclopentane
CID 91062709
2-nitroso-1-(nitrosomethyl)-1-propylcyclopentane
CID 137380412
1-methyl-2-propan-2-yl-1-propylcyclobutane
CID 123382647
4-ethyl-2,2,3,4-tetramethylcyclohexan-1-ol
CID 123306354
2-butan-2-yl-1-methyl-1-propylcyclobutane
CID 145223890
1,1,2,3-tetramethyl-2-propylcyclopropane
CID 90999525
[(4aR)-2,4a,4b,7,7,10a-hexamethyl-8-nitroso-1-propyl-3,4,5,6,6a,8,9,10,10b,11,12,12a-dodecahydro-1H-chrysen-2-yl]methanol;prop-1-yne
CID 143591267
7-methyl-7-propyl-1,2,3,5,6,8-hexahydropyrrolizine
CID 154510933
2-methyl-2-propylbicyclo[2.2.1]heptane
CID 20587119
1,6,7,10,10-pentamethyl-6-propylbicyclo[11.1.0]tetradecane
CID 177218967
1-but-1-en-2-yl-4-(2,2,4-trimethyl-3,4-dipropylcyclohexyl)benzene;ethane
CID 145429090

Frequently Asked Questions

What is the IUPAC name of 1,2,3,3-tetramethyl-4-nitroso-1-propylcyclohexane?
The IUPAC name of 1,2,3,3-tetramethyl-4-nitroso-1-propylcyclohexane (CID 123439057) is 1,2,3,3-tetramethyl-4-nitroso-1-propylcyclohexane.
What is the SMILES notation for 1,2,3,3-tetramethyl-4-nitroso-1-propylcyclohexane?
The canonical SMILES for 1,2,3,3-tetramethyl-4-nitroso-1-propylcyclohexane is CCCC1(C)CCC(N=O)C(C)(C)C1C.
What is the InChIKey of 1,2,3,3-tetramethyl-4-nitroso-1-propylcyclohexane?
The InChIKey is MSHCNLBPNVOOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-6-8-13(5)9-7-11(14-15)12(3,4)10(13)2/h10-11H,6-9H2,1-5H3.
What are the key properties of 1,2,3,3-tetramethyl-4-nitroso-1-propylcyclohexane?
1,2,3,3-tetramethyl-4-nitroso-1-propylcyclohexane has a molecular weight of 211.35 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3-tetramethyl-4-nitroso-1-propylcyclohexane is sourced from PubChem (CID 123439057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).