2,4,8,8-tetramethyl-3-methylidene-6-propan-2-yl-4-(trifluoromethyl)decane

C19H35F3 — CID 90698740

IUPAC2,4,8,8-tetramethyl-3-methylidene-6-propan-2-yl-4-(trifluoromethyl)decane
SMILESC=C(C(C)C)C(C)(CC(CC(C)(C)CC)C(C)C)C(F)(F)F
InChIInChI=1S/C19H35F3/c1-10-17(7,8)11-16(14(4)5)12-18(9,19(20,21)22)15(6)13(2)3/h13-14,16H,6,10-12H2,1-5,7-9H3
InChIKeyAUQLQDFCNFPIHF-UHFFFAOYSA-N
MW320.48 g/mol
LogP7.26
Rot. Bonds8

About 2,4,8,8-tetramethyl-3-methylidene-6-propan-2-yl-4-(trifluoromethyl)decane

2,4,8,8-tetramethyl-3-methylidene-6-propan-2-yl-4-(trifluoromethyl)decane (PubChem CID 90698740) has the molecular formula C19H35F3 and a molecular weight of 320.48 g/mol. Its IUPAC name is 2,4,8,8-tetramethyl-3-methylidene-6-propan-2-yl-4-(trifluoromethyl)decane.

Molecular Properties

Compound Name2,4,8,8-tetramethyl-3-methylidene-6-propan-2-yl-4-(trifluoromethyl)decane
PubChem CID90698740
Molecular FormulaC19H35F3
Molecular Weight320.48 g/mol
Exact Mass320.27
IUPAC Name2,4,8,8-tetramethyl-3-methylidene-6-propan-2-yl-4-(trifluoromethyl)decane
SMILESC=C(C(C)C)C(C)(CC(CC(C)(C)CC)C(C)C)C(F)(F)F
InChIInChI=1S/C19H35F3/c1-10-17(7,8)11-16(14(4)5)12-18(9,19(20,21)22)15(6)13(2)3/h13-14,16H,6,10-12H2,1-5,7-9H3
InChIKeyAUQLQDFCNFPIHF-UHFFFAOYSA-N
XLogP7.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.48
LogP ≤ 57.26
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

1-tert-Butyl-4-(difluoromethylidene)cyclohexane
CID 58974927
4-Ethenyl-2-methyl-4-(trifluoromethyl)dodecane
CID 71419704
3-(Propan-2-yl)-3-(trifluoromethyl)undec-1-ene
CID 71419705
4-(Difluoromethylidene)-1,1-di(propan-2-yl)cyclohexane
CID 21069123
6-Ethyl-3-fluoro-7-(2-methylprop-2-enyl)undecane
CID 87163908
6-(Fluoromethyl)-3,3,5,5,7,7,9-heptamethylundeca-1,10-diene
CID 89215915
8-(5-Fluoro-2,4,4-trimethylhex-5-en-2-yl)pentadecane
CID 89380212
4-Tert-butyl-3-ethyl-6,6-dimethyl-4-(trifluoromethyl)hept-1-ene
CID 89484696
(3R)-4-tert-butyl-3-ethyl-6,6-dimethyl-4-(trifluoromethyl)hept-1-ene
CID 89484766
(7S)-2,2-difluoro-7-methyl-5-methylidenenonane
CID 89729272
5-(2,3-Dimethylbutan-2-yl)-5-fluoro-6-methylidenedec-1-ene
CID 91142848
1-Fluoro-7-(5-methylideneheptan-2-yl)cyclotridecane
CID 91450861

Frequently Asked Questions

What is the IUPAC name of 2,4,8,8-tetramethyl-3-methylidene-6-propan-2-yl-4-(trifluoromethyl)decane?
The IUPAC name of 2,4,8,8-tetramethyl-3-methylidene-6-propan-2-yl-4-(trifluoromethyl)decane (CID 90698740) is 2,4,8,8-tetramethyl-3-methylidene-6-propan-2-yl-4-(trifluoromethyl)decane.
What is the SMILES notation for 2,4,8,8-tetramethyl-3-methylidene-6-propan-2-yl-4-(trifluoromethyl)decane?
The canonical SMILES for 2,4,8,8-tetramethyl-3-methylidene-6-propan-2-yl-4-(trifluoromethyl)decane is C=C(C(C)C)C(C)(CC(CC(C)(C)CC)C(C)C)C(F)(F)F.
What is the InChIKey of 2,4,8,8-tetramethyl-3-methylidene-6-propan-2-yl-4-(trifluoromethyl)decane?
The InChIKey is AUQLQDFCNFPIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35F3/c1-10-17(7,8)11-16(14(4)5)12-18(9,19(20,21)22)15(6)13(2)3/h13-14,16H,6,10-12H2,1-5,7-9H3.
What are the key properties of 2,4,8,8-tetramethyl-3-methylidene-6-propan-2-yl-4-(trifluoromethyl)decane?
2,4,8,8-tetramethyl-3-methylidene-6-propan-2-yl-4-(trifluoromethyl)decane has a molecular weight of 320.48 g/mol, XLogP of 7.26, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,8,8-tetramethyl-3-methylidene-6-propan-2-yl-4-(trifluoromethyl)decane is sourced from PubChem (CID 90698740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).