methane;2,5,5-trimethyl-3,7-dimethylidenenonane

C16H34 — CID 160593852

IUPACmethane;2,5,5-trimethyl-3,7-dimethylidenenonane
SMILESC.C.C=C(CC)CC(C)(C)CC(=C)C(C)C
InChIInChI=1S/C14H26.2CH4/c1-8-12(4)9-14(6,7)10-13(5)11(2)3;;/h11H,4-5,8-10H2,1-3,6-7H3;2*1H4
InChIKeyRDJIRVNRNJRNAC-UHFFFAOYSA-N
MW226.45 g/mol
LogP6.24
Rot. Bonds6

About methane;2,5,5-trimethyl-3,7-dimethylidenenonane

methane;2,5,5-trimethyl-3,7-dimethylidenenonane (PubChem CID 160593852) has the molecular formula C16H34 and a molecular weight of 226.45 g/mol. Its IUPAC name is methane;2,5,5-trimethyl-3,7-dimethylidenenonane.

Molecular Properties

Compound Namemethane;2,5,5-trimethyl-3,7-dimethylidenenonane
PubChem CID160593852
Molecular FormulaC16H34
Molecular Weight226.45 g/mol
Exact Mass226.27
IUPAC Namemethane;2,5,5-trimethyl-3,7-dimethylidenenonane
SMILESC.C.C=C(CC)CC(C)(C)CC(=C)C(C)C
InChIInChI=1S/C14H26.2CH4/c1-8-12(4)9-14(6,7)10-13(5)11(2)3;;/h11H,4-5,8-10H2,1-3,6-7H3;2*1H4
InChIKeyRDJIRVNRNJRNAC-UHFFFAOYSA-N
XLogP6.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.45
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4,4-dimethyl-6-methylideneoctan-2-amine
CID 66038569
3,3-dimethyl-5-methylideneheptanoic acid
CID 81004122
4,4,7-trimethyl-6-methylideneoct-1-ene
CID 59085404
2,6,6-trimethyl-3-methylideneundecane
CID 123351712
3,3-dimethyl-5-methylidene-N-propylheptan-1-amine
CID 81021780
2,2-dimethylpropane;2-methylbut-1-ene
CID 143831735
ethyl 2-hydroxy-5-methyl-4-methylidene-2-(trifluoromethyl)hexanoate
CID 162537757
3-methylidenepentane;hydrate
CID 162329688
2,6-dimethyl-5-methylideneheptan-2-ol
CID 170201148
3-fluoro-2,3-dimethyl-4-methylidenehexane
CID 143721817
2-(iodomethyl)-4,4-dimethylhex-1-ene
CID 89174271
3-fluoro-3-(fluoromethyl)-6-methyl-5-methylidenehept-1-ene
CID 143909189

Frequently Asked Questions

What is the IUPAC name of methane;2,5,5-trimethyl-3,7-dimethylidenenonane?
The IUPAC name of methane;2,5,5-trimethyl-3,7-dimethylidenenonane (CID 160593852) is methane;2,5,5-trimethyl-3,7-dimethylidenenonane.
What is the SMILES notation for methane;2,5,5-trimethyl-3,7-dimethylidenenonane?
The canonical SMILES for methane;2,5,5-trimethyl-3,7-dimethylidenenonane is C.C.C=C(CC)CC(C)(C)CC(=C)C(C)C.
What is the InChIKey of methane;2,5,5-trimethyl-3,7-dimethylidenenonane?
The InChIKey is RDJIRVNRNJRNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26.2CH4/c1-8-12(4)9-14(6,7)10-13(5)11(2)3;;/h11H,4-5,8-10H2,1-3,6-7H3;2*1H4.
What are the key properties of methane;2,5,5-trimethyl-3,7-dimethylidenenonane?
methane;2,5,5-trimethyl-3,7-dimethylidenenonane has a molecular weight of 226.45 g/mol, XLogP of 6.24, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2,5,5-trimethyl-3,7-dimethylidenenonane is sourced from PubChem (CID 160593852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).