3,3,6-trimethyl-5-(1-nitrosoethenyl)octane

C13H25NO — CID 167255509

IUPAC3,3,6-trimethyl-5-(1-nitrosoethenyl)octane
SMILESC=C(N=O)C(CC(C)(C)CC)C(C)CC
InChIInChI=1S/C13H25NO/c1-7-10(3)12(11(4)14-15)9-13(5,6)8-2/h10,12H,4,7-9H2,1-3,5-6H3
InChIKeyIMOWQTSEUSTRHX-UHFFFAOYSA-N
MW211.35 g/mol
LogP4.76
Rot. Bonds7

About 3,3,6-trimethyl-5-(1-nitrosoethenyl)octane

3,3,6-trimethyl-5-(1-nitrosoethenyl)octane (PubChem CID 167255509) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 3,3,6-trimethyl-5-(1-nitrosoethenyl)octane.

Molecular Properties

Compound Name3,3,6-trimethyl-5-(1-nitrosoethenyl)octane
PubChem CID167255509
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name3,3,6-trimethyl-5-(1-nitrosoethenyl)octane
SMILESC=C(N=O)C(CC(C)(C)CC)C(C)CC
InChIInChI=1S/C13H25NO/c1-7-10(3)12(11(4)14-15)9-13(5,6)8-2/h10,12H,4,7-9H2,1-3,5-6H3
InChIKeyIMOWQTSEUSTRHX-UHFFFAOYSA-N
XLogP4.76
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-butan-2-yl-4,4-dimethyl-N-[3-[(N'-methylcarbamimidoyl)amino]propyl]hexanamide
CID 91406164
3,6,6-trimethyloctan-4-amine
CID 89008923
5-methyl-2-nitroso-3-propan-2-ylhex-1-ene
CID 167256004
4,4-dimethyl-2-(2-methylbutan-2-yl)-N-oxohexanamide
CID 167255818
2-[(2R)-butan-2-yl]-4,4-dimethylhexan-1-amine
CID 89354237
propan-2-yl 2-tert-butyl-4,4-dimethylhexanoate
CID 89367103
4,4-dimethylhexan-2-yl 2-methylpropanoate
CID 89041122
(2S,4S)-2,4-bis[(2S)-butan-2-yl]pentanedioic acid
CID 15070778
4-(3,6,6-trimethyloctan-4-yl)phenol
CID 123661034
2,3-dimethyl-1-nitrosopentane
CID 146748606
3,3,5,7-tetramethylnonane
CID 57490983
5,5-dimethyl-3-propan-2-ylheptan-2-ol
CID 156689554

Frequently Asked Questions

What is the IUPAC name of 3,3,6-trimethyl-5-(1-nitrosoethenyl)octane?
The IUPAC name of 3,3,6-trimethyl-5-(1-nitrosoethenyl)octane (CID 167255509) is 3,3,6-trimethyl-5-(1-nitrosoethenyl)octane.
What is the SMILES notation for 3,3,6-trimethyl-5-(1-nitrosoethenyl)octane?
The canonical SMILES for 3,3,6-trimethyl-5-(1-nitrosoethenyl)octane is C=C(N=O)C(CC(C)(C)CC)C(C)CC.
What is the InChIKey of 3,3,6-trimethyl-5-(1-nitrosoethenyl)octane?
The InChIKey is IMOWQTSEUSTRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-7-10(3)12(11(4)14-15)9-13(5,6)8-2/h10,12H,4,7-9H2,1-3,5-6H3.
What are the key properties of 3,3,6-trimethyl-5-(1-nitrosoethenyl)octane?
3,3,6-trimethyl-5-(1-nitrosoethenyl)octane has a molecular weight of 211.35 g/mol, XLogP of 4.76, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,6-trimethyl-5-(1-nitrosoethenyl)octane is sourced from PubChem (CID 167255509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).