4,4,5,5,6,6,7-heptamethyl-1-nitroso-3-propan-2-yloctane

C18H37NO — CID 137490874

IUPAC4,4,5,5,6,6,7-heptamethyl-1-nitroso-3-propan-2-yloctane
SMILESCC(C)C(CCN=O)C(C)(C)C(C)(C)C(C)(C)C(C)C
InChIInChI=1S/C18H37NO/c1-13(2)15(11-12-19-20)17(7,8)18(9,10)16(5,6)14(3)4/h13-15H,11-12H2,1-10H3
InChIKeySDJCLXYQVOTHPA-UHFFFAOYSA-N
MW283.50 g/mol
LogP6.15
Rot. Bonds8

About 4,4,5,5,6,6,7-heptamethyl-1-nitroso-3-propan-2-yloctane

4,4,5,5,6,6,7-heptamethyl-1-nitroso-3-propan-2-yloctane (PubChem CID 137490874) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is 4,4,5,5,6,6,7-heptamethyl-1-nitroso-3-propan-2-yloctane.

Molecular Properties

Compound Name4,4,5,5,6,6,7-heptamethyl-1-nitroso-3-propan-2-yloctane
PubChem CID137490874
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name4,4,5,5,6,6,7-heptamethyl-1-nitroso-3-propan-2-yloctane
SMILESCC(C)C(CCN=O)C(C)(C)C(C)(C)C(C)(C)C(C)C
InChIInChI=1S/C18H37NO/c1-13(2)15(11-12-19-20)17(7,8)18(9,10)16(5,6)14(3)4/h13-15H,11-12H2,1-10H3
InChIKeySDJCLXYQVOTHPA-UHFFFAOYSA-N
XLogP6.15
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.50
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,3,4,4,5,5,6,6,7,7,8-dodecamethylnonane
CID 58764501
(3R)-5-methyl-1-nitroso-3-propan-2-ylhexane
CID 173492968
2,2,3,3,4,4,5,5,6-nonamethylheptane
CID 18709544
3,3-dimethyl-1-nitrosobutane
CID 57089696
8-methyl-1-nitrosononane
CID 163867680
(3R)-1,3-dinitrosohexane
CID 129091657
2,2,3,3,6,6-hexamethyl-4-propan-2-ylheptane
CID 142114488
(2S)-1,2,4-trinitrosobutane
CID 121451530
3-ethyl-2-hydroxy-4-methyl-2-propan-2-ylpentanoic acid
CID 79304533
3-(bromomethyl)-2,2,4-trimethylpentane
CID 83142537
methyl(2,3,3,4-tetramethylpentan-2-yl)phosphane
CID 123551419
4-ethyl-2,2-dimethyl-3-(nitrosomethyl)octane
CID 146258320

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5,6,6,7-heptamethyl-1-nitroso-3-propan-2-yloctane?
The IUPAC name of 4,4,5,5,6,6,7-heptamethyl-1-nitroso-3-propan-2-yloctane (CID 137490874) is 4,4,5,5,6,6,7-heptamethyl-1-nitroso-3-propan-2-yloctane.
What is the SMILES notation for 4,4,5,5,6,6,7-heptamethyl-1-nitroso-3-propan-2-yloctane?
The canonical SMILES for 4,4,5,5,6,6,7-heptamethyl-1-nitroso-3-propan-2-yloctane is CC(C)C(CCN=O)C(C)(C)C(C)(C)C(C)(C)C(C)C.
What is the InChIKey of 4,4,5,5,6,6,7-heptamethyl-1-nitroso-3-propan-2-yloctane?
The InChIKey is SDJCLXYQVOTHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-13(2)15(11-12-19-20)17(7,8)18(9,10)16(5,6)14(3)4/h13-15H,11-12H2,1-10H3.
What are the key properties of 4,4,5,5,6,6,7-heptamethyl-1-nitroso-3-propan-2-yloctane?
4,4,5,5,6,6,7-heptamethyl-1-nitroso-3-propan-2-yloctane has a molecular weight of 283.50 g/mol, XLogP of 6.15, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,6,6,7-heptamethyl-1-nitroso-3-propan-2-yloctane is sourced from PubChem (CID 137490874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).