1-ethyl-2-(3-ethyl-5-fluoro-3-propylhexyl)-1-methyl-3-methylidenecyclobutane

C19H35F — CID 138614421

IUPAC1-ethyl-2-(3-ethyl-5-fluoro-3-propylhexyl)-1-methyl-3-methylidenecyclobutane
SMILESC=C1CC(C)(CC)C1CCC(CC)(CCC)CC(C)F
InChIInChI=1S/C19H35F/c1-7-11-19(9-3,14-16(5)20)12-10-17-15(4)13-18(17,6)8-2/h16-17H,4,7-14H2,1-3,5-6H3
InChIKeyTWKVSZNNBPPPMQ-UHFFFAOYSA-N
MW282.49 g/mol
LogP6.70
Rot. Bonds9

About 1-ethyl-2-(3-ethyl-5-fluoro-3-propylhexyl)-1-methyl-3-methylidenecyclobutane

1-ethyl-2-(3-ethyl-5-fluoro-3-propylhexyl)-1-methyl-3-methylidenecyclobutane (PubChem CID 138614421) has the molecular formula C19H35F and a molecular weight of 282.49 g/mol. Its IUPAC name is 1-ethyl-2-(3-ethyl-5-fluoro-3-propylhexyl)-1-methyl-3-methylidenecyclobutane.

Molecular Properties

Compound Name1-ethyl-2-(3-ethyl-5-fluoro-3-propylhexyl)-1-methyl-3-methylidenecyclobutane
PubChem CID138614421
Molecular FormulaC19H35F
Molecular Weight282.49 g/mol
Exact Mass282.27
IUPAC Name1-ethyl-2-(3-ethyl-5-fluoro-3-propylhexyl)-1-methyl-3-methylidenecyclobutane
SMILESC=C1CC(C)(CC)C1CCC(CC)(CCC)CC(C)F
InChIInChI=1S/C19H35F/c1-7-11-19(9-3,14-16(5)20)12-10-17-15(4)13-18(17,6)8-2/h16-17H,4,7-14H2,1-3,5-6H3
InChIKeyTWKVSZNNBPPPMQ-UHFFFAOYSA-N
XLogP6.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.49
LogP ≤ 56.70
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

6,10,10-Trimethyl-2-methylidenebicyclo[7.2.0]undecane
CID 18372029
10,10-Dimethyl-2,6-dimethylenebicyclo[7.2.0]undecane
CID 577397
(1S,6R,9R)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecane
CID 162940691
2-Isopropenyl-1,1-dimethylcyclobutane
CID 24972395
6-Ethyl-3-fluoro-7-(2-methylprop-2-enyl)undecane
CID 87163908
1-(4-Butan-2-yl-3-cyclobutyl-5-methylheptan-2-yl)-4-(3-fluoro-2,4-dimethylpent-1-en-3-yl)cyclohexane
CID 89032019
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
2,4,8,8-Tetramethyl-3-methylidene-6-propan-2-yl-4-(trifluoromethyl)decane
CID 90698740
5-(2,3-Dimethylbutan-2-yl)-5-fluoro-6-methylidenedec-1-ene
CID 91142848
1-Fluoro-7-(5-methylideneheptan-2-yl)cyclotridecane
CID 91450861
8-(1,1-Difluoro-2-methylprop-2-enyl)-6-(2-fluoro-3-methylbut-3-en-2-yl)bicyclo[6.1.1]deca-3,4-diene
CID 123162213

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(3-ethyl-5-fluoro-3-propylhexyl)-1-methyl-3-methylidenecyclobutane?
The IUPAC name of 1-ethyl-2-(3-ethyl-5-fluoro-3-propylhexyl)-1-methyl-3-methylidenecyclobutane (CID 138614421) is 1-ethyl-2-(3-ethyl-5-fluoro-3-propylhexyl)-1-methyl-3-methylidenecyclobutane.
What is the SMILES notation for 1-ethyl-2-(3-ethyl-5-fluoro-3-propylhexyl)-1-methyl-3-methylidenecyclobutane?
The canonical SMILES for 1-ethyl-2-(3-ethyl-5-fluoro-3-propylhexyl)-1-methyl-3-methylidenecyclobutane is C=C1CC(C)(CC)C1CCC(CC)(CCC)CC(C)F.
What is the InChIKey of 1-ethyl-2-(3-ethyl-5-fluoro-3-propylhexyl)-1-methyl-3-methylidenecyclobutane?
The InChIKey is TWKVSZNNBPPPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35F/c1-7-11-19(9-3,14-16(5)20)12-10-17-15(4)13-18(17,6)8-2/h16-17H,4,7-14H2,1-3,5-6H3.
What are the key properties of 1-ethyl-2-(3-ethyl-5-fluoro-3-propylhexyl)-1-methyl-3-methylidenecyclobutane?
1-ethyl-2-(3-ethyl-5-fluoro-3-propylhexyl)-1-methyl-3-methylidenecyclobutane has a molecular weight of 282.49 g/mol, XLogP of 6.70, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(3-ethyl-5-fluoro-3-propylhexyl)-1-methyl-3-methylidenecyclobutane is sourced from PubChem (CID 138614421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).